{"created":1786331421905,"createdBy":"ADMIN","lastEdited":1786331421905,"lastEditedBy":"ADMIN","deprecated":false,"uuid":"c757c34e-bf97-47a4-ae81-a93dada9553b","definitionType":"PRIMARY","definitionLevel":"COMPLETE","substanceClass":"chemical","status":"approved","version":"26","approvedBy":"FDA_SRS","approvalID":"H50H3S3W74","structure":{"id":"a56d40c2-aa21-49f4-b5f6-d9ccf523eb5e","created":1786331421917,"lastEdited":1786331421927,"deprecated":false,"digest":"2fc109a1c21078db6b125b4ebd5a69a1c135f4e5","molfile":"\n  Marvin  01132108362D          \n\n 96103  0  0  1  0            999 V2000\n   16.9594   -5.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9593   -6.3640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   16.2449   -6.7765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2449   -7.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9593   -8.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5304   -8.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   15.5304   -8.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2448   -9.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9985   -8.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5505   -9.5290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.1380  -10.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3311  -10.0720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8159   -7.6015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8159   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5304   -6.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1015   -6.3640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.3478   -6.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7958   -6.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2083   -5.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0153   -5.5436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8727   -4.6183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6738   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6738   -7.6015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3882   -8.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   19.1027   -7.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.8172   -8.0141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   20.5316   -7.6015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   20.5317   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.2461   -6.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.2461   -5.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.9606   -5.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.6751   -5.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.6751   -6.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.9606   -6.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.3895   -5.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   21.2461   -8.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.9606   -7.6015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   22.5926   -8.1318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   22.4493   -8.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.1702   -9.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.9428  -10.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.1183  -10.2317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.8361   -9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.4862   -8.9486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6570  -10.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.0186  -11.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.8415  -11.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.2032  -12.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.7419  -13.1402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.9189  -13.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.5572  -12.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.3678   -7.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.9998   -8.3800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   23.8565   -9.1925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   24.4885   -9.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.3453  -10.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   24.9773  -11.0655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   24.8340  -11.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.0588  -12.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   25.4659  -12.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   25.4084  -13.2313    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   24.7088  -13.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.7376  -14.4930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   25.4659  -14.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.4948  -15.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.9803  -13.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   26.1733  -13.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.7036  -12.9084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.2664  -12.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.7525  -10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.3845  -11.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.1597  -11.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.6900  -11.6635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   28.5025  -11.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.7846  -10.7450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   29.0327  -12.1522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   25.2638   -9.4406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   23.0813   -9.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.9380  -10.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.5700  -10.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.1628  -10.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.5111   -7.0372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   21.2461   -8.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1027   -6.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3882   -8.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1027   -9.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3883   -6.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2449   -5.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1587   -4.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3517   -4.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9392   -4.8490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4912   -5.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.0968   -3.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.6488   -2.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.4558   -2.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7107   -3.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  1  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  6  4  1  6  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 12 11  2  0  0  0  0\n  8 12  1  0  0  0  0\n  6 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 16 14  1  6  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 20 19  1  0  0  0  0\n 16 20  1  0  0  0  0\n 19 21  2  0  0  0  0\n  2 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  1  0  0  0\n 28 29  1  0  0  0  0\n 29 30  2  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  2  0  0  0  0\n 33 32  1  0  0  0  0\n 34 33  2  0  0  0  0\n 29 34  1  0  0  0  0\n 32 35  1  0  0  0  0\n 27 36  1  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  2  0  0  0  0\n 41 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 44 43  2  0  0  0  0\n 40 44  1  0  0  0  0\n 42 45  1  0  0  0  0\n 45 46  1  0  0  0  0\n 46 47  2  0  0  0  0\n 47 48  1  0  0  0  0\n 48 49  2  0  0  0  0\n 50 49  1  0  0  0  0\n 51 50  2  0  0  0  0\n 46 51  1  0  0  0  0\n 38 52  1  1  0  0  0\n 52 53  1  0  0  0  0\n 53 54  1  0  0  0  0\n 54 55  1  0  0  0  0\n 55 56  1  0  0  0  0\n 56 57  1  0  0  0  0\n 57 58  1  0  0  0  0\n 58 59  2  0  0  0  0\n 58 60  1  0  0  0  0\n 60 61  1  0  0  0  0\n 61 62  1  1  0  0  0\n 62 63  1  0  0  0  0\n 63 64  1  0  0  0  0\n 64 65  1  0  0  0  0\n 62 66  2  0  0  0  0\n 61 67  1  0  0  0  0\n 67 68  1  0  0  0  0\n 69 68  1  0  0  0  0\n 60 69  1  0  0  0  0\n 57 70  1  1  0  0  0\n 70 71  1  0  0  0  0\n 71 72  1  0  0  0  0\n 72 73  1  0  0  0  0\n 73 74  1  0  0  0  0\n 74 75  2  0  0  0  0\n 74 76  1  0  0  0  0\n 55 77  2  0  0  0  0\n 54 78  1  6  0  0  0\n 78 79  1  0  0  0  0\n 79 80  1  0  0  0  0\n 79 81  1  0  0  0  0\n 52 82  2  0  0  0  0\n 36 83  2  0  0  0  0\n 25 84  2  0  0  0  0\n 24 85  1  6  0  0  0\n 85 86  1  0  0  0  0\n 22 87  2  0  0  0  0\n  1 88  1  0  0  0  0\n 88 89  1  0  0  0  0\n 89 90  2  0  0  0  0\n 90 91  1  0  0  0  0\n 92 91  1  0  0  0  0\n 88 92  2  0  0  0  0\n 90 93  1  0  0  0  0\n 93 94  2  0  0  0  0\n 95 94  1  0  0  0  0\n 96 95  2  0  0  0  0\n 89 96  1  0  0  0  0\nM  END","smiles":"CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)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":"C66H86N18O12","opticalActivity":"UNSPECIFIED","atropisomerism":"No","stereoCenters":9,"definedStereo":9,"ezCenters":0,"charge":0,"mwt":1323.505,"count":1,"createdBy":"ADMIN","lastEditedBy":"ADMIN","stereochemistry":"ABSOLUTE","access":[],"references":["1abf0af4-cfba-42af-acef-024ed9661145","79091c2e-aef1-44d1-a988-3fcedc38644d","8d0cf17c-e435-4e8f-b3c0-ff0809157622"],"_inchiKey":"HHXHVIJIIXKSOE-QILQGKCVSA-N","_inchi":"InChI=1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1","hash":"HHXHVIJIIXKSOE_QILQGKCVSA_N"},"_name":"HISTRELIN","_approvalIDDisplay":"H50H3S3W74","access":[],"_self":"https://gsrs.ncats.nih.gov/api/v1/substances(c757c34e-bf97-47a4-ae81-a93dada9553b)?view=full","_moieties":{"count":1,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(c757c34e-bf97-47a4-ae81-a93dada9553b)/moieties"},"_names":{"count":14,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(c757c34e-bf97-47a4-ae81-a93dada9553b)/names"},"_codes":{"count":28,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(c757c34e-bf97-47a4-ae81-a93dada9553b)/codes"},"_properties":{"count":0,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(c757c34e-bf97-47a4-ae81-a93dada9553b)/properties"},"_relationships":{"count":4,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(c757c34e-bf97-47a4-ae81-a93dada9553b)/relationships"},"_references":{"count":31,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(c757c34e-bf97-47a4-ae81-a93dada9553b)/references"}}