{"created":1786432527301,"createdBy":"ADMIN","lastEdited":1786432527301,"lastEditedBy":"ADMIN","deprecated":false,"uuid":"e8567075-c9e1-4a53-828f-e5e299f2143e","definitionType":"PRIMARY","definitionLevel":"COMPLETE","substanceClass":"chemical","status":"approved","version":"30","approvedBy":"FDA_SRS","approvalID":"U00J02UY29","structure":{"id":"8fcbf132-ba37-43a2-9bc6-08881fcfc89a","created":1786432527341,"lastEdited":1786432527348,"deprecated":false,"digest":"a5fa9a8963f9a9df03c8ddaddcfd894dd2423ca2","molfile":"\n Marvin 01132107272D \n\n 72 73 0 0 1 0 999 V2000\n 7.2587 -7.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9732 -7.7205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6877 -7.3079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 9.4022 -7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.1166 -7.3079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8311 -7.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 11.5456 -7.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2601 -7.7204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9745 -7.3079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 13.6890 -7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 14.4035 -7.3079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1180 -7.7204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 15.8324 -7.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5469 -7.7204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2614 -7.3079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 17.9759 -7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9759 -8.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2614 -8.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2614 -9.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9759 -10.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6904 -9.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6904 -8.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9759 -11.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 17.2614 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.9759 -6.0704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6903 -6.4829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0\n 19.4048 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1193 -6.4829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8338 -6.0704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 21.5483 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.2627 -6.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.5483 -7.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 20.8338 -5.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4048 -5.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 18.6904 -7.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4048 -7.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 20.1193 -7.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.4048 -8.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 16.5469 -6.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.8324 -6.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 15.1180 -8.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13.6890 -8.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 12.9745 -6.4829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 13.6890 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2601 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5456 -6.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8311 -8.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5456 -8.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.2601 -8.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5456 -9.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4022 -8.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6877 -6.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4021 -6.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4021 -5.2454 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6877 -4.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.2587 -6.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5443 -7.7205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 5.7906 -7.3848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6190 -6.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8344 -6.3230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.6629 -5.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8782 -5.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2652 -5.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7068 -4.4540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0\n 4.3198 -3.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9222 -4.1991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.2214 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.4368 -6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2322 -6.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2385 -7.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6510 -8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4580 -8.5409 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 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 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 2 0 0 0 0\n 18 19 1 0 0 0 0\n 19 20 2 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 2 0 0 0 0\n 17 22 1 0 0 0 0\n 20 23 1 0 0 0 0\n 15 24 1 6 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 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 30 32 2 0 0 0 0\n 29 33 1 6 0 0 0\n 27 34 2 0 0 0 0\n 26 35 1 6 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 36 38 2 0 0 0 0\n 24 39 2 0 0 0 0\n 13 40 2 0 0 0 0\n 12 41 1 6 0 0 0\n 10 42 2 0 0 0 0\n 9 43 1 1 0 0 0\n 43 44 1 0 0 0 0\n 43 45 1 0 0 0 0\n 7 46 2 0 0 0 0\n 6 47 1 6 0 0 0\n 47 48 1 0 0 0 0\n 48 49 1 0 0 0 0\n 48 50 1 0 0 0 0\n 4 51 2 0 0 0 0\n 3 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 1 56 2 0 0 0 0\n 57 1 1 6 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 1 6 0 0 0\n 61 62 1 0 0 0 0\n 62 63 2 0 0 0 0\n 64 62 1 6 0 0 0\n 64 65 1 0 0 0 0\n 64 66 1 0 0 0 0\n 60 67 1 0 0 0 0\n 67 68 1 0 0 0 0\n 59 69 2 0 0 0 0\n 58 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 72 71 1 0 0 0 0\n 57 72 1 0 0 0 0\nM END","smiles":"CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@@H](C)N","formula":"C46H72N10O15S","opticalActivity":"UNSPECIFIED","atropisomerism":"No","stereoCenters":10,"definedStereo":10,"ezCenters":0,"charge":0,"mwt":1037.1898,"count":1,"createdBy":"ADMIN","lastEditedBy":"ADMIN","stereochemistry":"ABSOLUTE","access":[],"references":["062c2051-5c16-41c6-81e7-274a9633cbed","c82b6e2c-d5c0-4d39-b2f4-6b47ce756dbe","50b877ca-7cda-42c1-9511-c31821cece2b"],"_inchiKey":"VRNHFZYMPDKTBS-WYUJEMNCSA-N","_inchi":"InChI=1S/C46H72N10O15S/c1-22(2)18-30(52-39(63)29(15-17-72-8)50-43(67)34-10-9-16-56(34)45(69)33(21-57)54-37(61)24(5)47)42(66)55-36(23(3)4)44(68)48-25(6)38(62)51-31(19-27-11-13-28(58)14-12-27)41(65)53-32(20-35(59)60)40(64)49-26(7)46(70)71/h11-14,22-26,29-34,36,57-58H,9-10,15-21,47H2,1-8H3,(H,48,68)(H,49,64)(H,50,67)(H,51,62)(H,52,63)(H,53,65)(H,54,61)(H,55,66)(H,59,60)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,33+,34+,36+/m1/s1","hash":"VRNHFZYMPDKTBS_WYUJEMNCSA_N"},"_name":"RELTECIMOD","_approvalIDDisplay":"U00J02UY29","access":[],"_self":"https://gsrs.ncats.nih.gov/api/v1/substances(e8567075-c9e1-4a53-828f-e5e299f2143e)?view=full","_moieties":{"count":1,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e8567075-c9e1-4a53-828f-e5e299f2143e)/moieties"},"_names":{"count":11,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e8567075-c9e1-4a53-828f-e5e299f2143e)/names"},"_codes":{"count":10,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e8567075-c9e1-4a53-828f-e5e299f2143e)/codes"},"_properties":{"count":0,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e8567075-c9e1-4a53-828f-e5e299f2143e)/properties"},"_relationships":{"count":4,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e8567075-c9e1-4a53-828f-e5e299f2143e)/relationships"},"_references":{"count":18,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(e8567075-c9e1-4a53-828f-e5e299f2143e)/references"}}