{"created":1786329980760,"createdBy":"ADMIN","lastEdited":1786362494180,"lastEditedBy":"ADMIN","deprecated":false,"uuid":"cc7a29f1-fc12-4c5f-a17d-45a3b13bce45","definitionType":"PRIMARY","definitionLevel":"COMPLETE","substanceClass":"chemical","status":"approved","version":"24","approvedBy":"FDA_SRS","approvalID":"1X0094V6JV","structure":{"id":"22ec7147-f548-4cd8-9a96-b5712fff500d","created":1786329980761,"lastEdited":1786329980770,"deprecated":false,"digest":"c34d2f8a24817bb8f0ebed7d896f820210fa63fe","molfile":"\n  Marvin  01132101572D          \n\n 96103  0  0  1  0            999 V2000\n    5.1930  -12.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1930  -12.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4786  -14.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4786  -13.3583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.7641  -12.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0496  -13.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3365  -13.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3365  -14.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9075  -13.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6220  -12.9458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.6220  -12.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3365  -11.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4227  -10.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2297  -10.7163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6422  -11.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0901  -12.0438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4799  -12.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4799  -12.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0509  -12.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7654  -13.3583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    8.7654  -14.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4799  -14.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2335  -14.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7856  -14.8733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3731  -15.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6280  -16.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0760  -16.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2690  -16.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0141  -16.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5661  -15.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6233  -13.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6233  -14.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1943  -13.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9088  -12.9458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.9088  -12.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1943  -11.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7667  -12.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7667  -12.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3378  -12.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0522  -13.3583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   13.0522  -14.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7667  -14.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7667  -15.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4812  -15.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1956  -15.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9101  -15.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1956  -14.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4812  -14.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9101  -13.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9101  -14.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4812  -13.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1956  -12.9458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   15.1956  -12.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9101  -11.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6246  -12.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3391  -11.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3391  -10.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6246  -10.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9101  -10.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0535  -12.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0535  -12.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6246  -12.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3391  -13.3583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   17.3391  -14.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0535  -14.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7680  -14.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0535  -15.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.1969  -13.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.1969  -14.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7680  -13.3583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.4825  -12.9458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   19.4825  -12.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.1969  -11.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.1969  -10.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.9114  -10.4708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   20.9114   -9.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.1969   -9.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.6259   -9.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.8366  -14.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.6212  -14.3433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   20.9114  -12.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.6651  -13.2813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   22.2171  -12.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.8046  -11.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.9976  -12.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.8117  -16.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.0252  -16.8276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   21.2235  -14.6404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   21.3950  -15.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.0148  -15.8172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4621  -14.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8788  -14.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0535  -10.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0535   -9.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3391   -9.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6246   -9.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  4  3  1  1  0  0  0\n  1  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  8  2  0  0  0  0\n  9 10  1  0  0  0  0\n  7 10  1  0  0  0  0\n 10 11  1  1  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 12 16  1  0  0  0  0\n  1  9  1  0  0  0  0\n 17 18  2  0  0  0  0\n 19 20  1  0  0  0  0\n 17 20  1  0  0  0  0\n 20 21  1  6  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  2  0  0  0  0\n 22 30  1  0  0  0  0\n 25 30  1  0  0  0  0\n  7 19  1  0  0  0  0\n 31 32  2  0  0  0  0\n 33 34  1  0  0  0  0\n 31 34  1  0  0  0  0\n 34 35  1  1  0  0  0\n 35 36  1  0  0  0  0\n 17 33  1  0  0  0  0\n 37 38  2  0  0  0  0\n 39 40  1  0  0  0  0\n 37 40  1  0  0  0  0\n 40 41  1  6  0  0  0\n 41 42  1  0  0  0  0\n 42 43  2  0  0  0  0\n 43 44  1  0  0  0  0\n 44 45  2  0  0  0  0\n 45 46  1  0  0  0  0\n 45 47  1  0  0  0  0\n 47 48  2  0  0  0  0\n 42 48  1  0  0  0  0\n 31 39  1  0  0  0  0\n 49 50  2  0  0  0  0\n 51 52  1  0  0  0  0\n 49 52  1  0  0  0  0\n 53 54  1  0  0  0  0\n 54 55  1  0  0  0  0\n 55 56  2  0  0  0  0\n 56 57  1  0  0  0  0\n 57 58  2  0  0  0  0\n 58 59  1  0  0  0  0\n 54 59  2  0  0  0  0\n 37 51  1  0  0  0  0\n 60 61  2  0  0  0  0\n 62 63  1  0  0  0  0\n 60 63  1  0  0  0  0\n 63 64  1  6  0  0  0\n 64 65  1  0  0  0  0\n 65 66  1  0  0  0  0\n 65 67  1  0  0  0  0\n 49 62  1  0  0  0  0\n 68 69  2  0  0  0  0\n 70 71  1  0  0  0  0\n 68 71  1  0  0  0  0\n 71 72  1  1  0  0  0\n 72 73  1  0  0  0  0\n 73 74  1  0  0  0  0\n 74 75  1  0  0  0  0\n 75 76  1  0  0  0  0\n 76 77  2  0  0  0  0\n 76 78  1  0  0  0  0\n 60 70  1  0  0  0  0\n 79 80  2  0  0  0  0\n 81 82  1  0  0  0  0\n 82 79  1  1  0  0  0\n 82 83  1  0  0  0  0\n 83 84  1  0  0  0  0\n 84 85  1  0  0  0  0\n 81 85  1  0  0  0  0\n 68 81  1  0  0  0  0\n 86 87  2  0  0  0  0\n 88 89  1  0  0  0  0\n 86 89  1  0  0  0  0\n 79 88  1  0  0  0  0\n 86 90  1  0  0  0  0\n  6 91  1  0  0  0  0\n 91  3  1  0  0  0  0\n 91 92  2  0  0  0  0\n 52 53  1  6  0  0  0\n 57 93  1  0  0  0  0\n 93 94  2  0  0  0  0\n 94 95  1  0  0  0  0\n 95 96  2  0  0  0  0\n 96 58  1  0  0  0  0\nM  END","smiles":"CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc7c[nH]cn7)NC(=O)[C@@H]8CCC(=O)N8","formula":"C66H83N17O13","opticalActivity":"UNSPECIFIED","atropisomerism":"No","stereoCenters":9,"definedStereo":9,"ezCenters":0,"charge":0,"mwt":1322.4739,"count":1,"createdBy":"ADMIN","lastEditedBy":"ADMIN","stereochemistry":"ABSOLUTE","access":[],"references":["679bf38a-090e-415a-b863-85838c8780ed","586f4c72-e73d-49a8-a8e0-1649c1c2d6d3","bf5f3549-6ec6-49fd-8f50-267894bb7b8c"],"_inchiKey":"RWHUEXWOYVBUCI-ITQXDASVSA-N","_inchi":"InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1","hash":"RWHUEXWOYVBUCI_ITQXDASVSA_N"},"_name":"NAFARELIN","_approvalIDDisplay":"1X0094V6JV","access":[],"_self":"https://gsrs.ncats.nih.gov/api/v1/substances(cc7a29f1-fc12-4c5f-a17d-45a3b13bce45)?view=full","_moieties":{"count":1,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(cc7a29f1-fc12-4c5f-a17d-45a3b13bce45)/moieties"},"_names":{"count":8,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(cc7a29f1-fc12-4c5f-a17d-45a3b13bce45)/names"},"_codes":{"count":25,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(cc7a29f1-fc12-4c5f-a17d-45a3b13bce45)/codes"},"_properties":{"count":1,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(cc7a29f1-fc12-4c5f-a17d-45a3b13bce45)/properties"},"_relationships":{"count":7,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(cc7a29f1-fc12-4c5f-a17d-45a3b13bce45)/relationships"},"_references":{"count":24,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(cc7a29f1-fc12-4c5f-a17d-45a3b13bce45)/references"}}