{"created":1786348334265,"createdBy":"ADMIN","lastEdited":1786400848749,"lastEditedBy":"ADMIN","deprecated":false,"uuid":"e731938c-3ef1-4f30-a1e4-be751b2a22ec","definitionType":"PRIMARY","definitionLevel":"COMPLETE","substanceClass":"chemical","status":"approved","version":"45","approvedBy":"FDA_SRS","approvalID":"60ME133FJB","structure":{"id":"39f1940c-5e14-4fb6-b237-3e8dd186cb20","created":1786348334266,"lastEdited":1786348334277,"deprecated":false,"digest":"6726fa90547742b2073140605b622a0545156507","molfile":"\n  Marvin  01132103042D          \n\n 71 70  0  0  1  0            999 V2000\n    6.5702   -8.8698    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8577   -9.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8577  -10.1071    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    5.1427  -10.5197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5702  -10.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5702  -11.3445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2851  -10.1071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5702   -8.0449    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2851   -7.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2851   -6.8076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    6.5702   -6.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8577   -6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8577   -7.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1427   -6.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0001   -6.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0001   -5.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7149   -5.1578    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.7149   -4.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4277   -5.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1425   -5.1578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8575   -5.5701    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   11.5724   -5.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5724   -4.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2874   -3.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2874   -3.0956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0000   -2.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0000   -1.8582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7150   -3.0956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8575   -6.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5724   -6.8076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5724   -7.6324    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.8575   -8.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8575   -8.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5724   -9.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5724  -10.1071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2874  -10.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2874  -11.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0000  -10.1071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2874   -8.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0000   -7.6324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7150   -8.0449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   14.4293   -7.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4293   -6.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1435   -6.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1435   -5.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4292   -5.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7147   -5.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4292   -4.3329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7150   -8.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4299   -9.2824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4299  -10.1071    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.7150  -10.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1449  -10.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1449  -11.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8575  -11.7570    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   16.5724  -11.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.2873  -11.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.0022  -11.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7148  -11.7570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.4297  -11.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.1447  -11.7570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.4297  -10.5197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8575  -12.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1449  -12.9943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5724  -12.9943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8575  -10.1071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0000   -9.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2874   -8.8698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1425   -6.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4277   -6.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7149   -6.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  1  0  0  0\n  4  3  1  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\n  1  8  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  1  0  0  0\n 11 10  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 12 14  1  0  0  0  0\n 10 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  6  0  0  0\n 17 19  1  0  0  0  0\n 20 19  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  6  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  2  0  0  0  0\n 26 28  1  0  0  0  0\n 21 29  1  0  0  0  0\n 30 29  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  1  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  2  0  0  0  0\n 36 38  1  0  0  0  0\n 31 39  1  0  0  0  0\n 40 39  1  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  1  6  0  0  0\n 42 43  1  0  0  0  0\n 43 44  1  0  0  0  0\n 44 45  1  0  0  0  0\n 45 46  1  0  0  0  0\n 46 47  2  0  0  0  0\n 46 48  1  0  0  0  0\n 41 49  1  0  0  0  0\n 49 50  1  0  0  0  0\n 50 51  1  0  0  0  0\n 51 52  1  1  0  0  0\n 51 53  1  0  0  0  0\n 54 53  1  0  0  0  0\n 54 55  1  0  0  0  0\n 55 56  1  6  0  0  0\n 56 57  1  0  0  0  0\n 57 58  1  0  0  0  0\n 58 59  1  0  0  0  0\n 59 60  1  0  0  0  0\n 60 61  2  0  0  0  0\n 60 62  1  0  0  0  0\n 55 63  1  0  0  0  0\n 63 64  1  0  0  0  0\n 63 65  2  0  0  0  0\n 53 66  2  0  0  0  0\n 49 67  2  0  0  0  0\n 39 68  2  0  0  0  0\n 29 69  2  0  0  0  0\n 19 70  2  0  0  0  0\n 15 71  2  0  0  0  0\nM  END","smiles":"C[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C","formula":"C38H73N21O10S2","opticalActivity":"UNSPECIFIED","atropisomerism":"No","stereoCenters":8,"definedStereo":8,"ezCenters":0,"charge":0,"mwt":1048.2546,"count":1,"createdBy":"ADMIN","lastEditedBy":"ADMIN","stereochemistry":"ABSOLUTE","access":[],"references":["c6e01360-2d9a-4fe4-89d0-457fb66e6f8d","7ca5986b-baaf-4d39-b089-6094b4dab860","180f2577-b9a7-489b-a742-50cae775b7ed"],"_inchiKey":"ANIAZGVDEUQPRI-ZJQCGQFWSA-N","_inchi":"InChI=1S/C38H73N21O10S2/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52)/t18-,19-,21+,22-,23-,24-,25-,26-/m1/s1","hash":"ANIAZGVDEUQPRI_ZJQCGQFWSA_N"},"_name":"ETELCALCETIDE","_approvalIDDisplay":"60ME133FJB","access":[],"_self":"https://gsrs.ncats.nih.gov/api/v1/substances(e731938c-3ef1-4f30-a1e4-be751b2a22ec)?view=full","_moieties":{"count":1,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e731938c-3ef1-4f30-a1e4-be751b2a22ec)/moieties"},"_names":{"count":15,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e731938c-3ef1-4f30-a1e4-be751b2a22ec)/names"},"_codes":{"count":20,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e731938c-3ef1-4f30-a1e4-be751b2a22ec)/codes"},"_properties":{"count":2,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e731938c-3ef1-4f30-a1e4-be751b2a22ec)/properties"},"_relationships":{"count":8,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e731938c-3ef1-4f30-a1e4-be751b2a22ec)/relationships"},"_references":{"count":37,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e731938c-3ef1-4f30-a1e4-be751b2a22ec)/references"}}