{"created":1786383067124,"createdBy":"ADMIN","lastEdited":1786383067124,"lastEditedBy":"ADMIN","deprecated":false,"uuid":"6e19e86d-def2-4334-a6b9-6f1985d1a6ac","definitionType":"PRIMARY","definitionLevel":"COMPLETE","substanceClass":"chemical","status":"approved","version":"8","approvedBy":"FDA_SRS","approvalID":"W525NLS74J","structure":{"id":"d6070a83-54db-433c-87b0-ce58b58086e2","created":1786383067125,"lastEdited":1786383067131,"deprecated":false,"digest":"fe5741b6603c070d2cfe8d631d7ff68f85cd5e61","molfile":"\n  Marvin  01132111052D          \n\n 50 49  0  0  1  0            999 V2000\n   14.2849   -6.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7116   -6.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7116   -7.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0271   -6.0199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   13.0271   -5.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7414   -4.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7414   -3.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4511   -3.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1697   -3.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.8834   -3.5425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1697   -2.3057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3770   -6.4950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5699   -6.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5699   -7.3226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8852   -6.0322    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   10.8852   -5.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5997   -4.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5997   -3.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3094   -3.5817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0280   -3.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7416   -3.5549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0280   -2.3182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2351   -6.5074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4281   -6.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4281   -7.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7434   -6.0446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    8.7434   -5.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4579   -4.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4579   -3.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1676   -3.5942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8861   -3.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5999   -3.5673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8861   -2.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0933   -6.5198    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2862   -6.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6007   -6.0565    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    5.9501   -6.5343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1429   -6.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1429   -7.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4578   -6.0712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.8071   -6.5403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2290   -6.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8093   -7.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8172   -5.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4578   -5.2406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    3.7438   -4.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1727   -4.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6007   -5.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3159   -4.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2862   -7.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  4  2  1  0  0  0  0\n  4  5  1  1  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  2  0  0  0  0\n  9 11  1  0  0  0  0\n 12  4  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 15 13  1  0  0  0  0\n 15 16  1  1  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 19 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 20 22  1  0  0  0  0\n 23 15  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  2  0  0  0  0\n 26 24  1  0  0  0  0\n 26 27  1  1  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 31 32  2  0  0  0  0\n 31 33  1  0  0  0  0\n 34 26  1  0  0  0  0\n 34 35  1  0  0  0  0\n 36 35  1  0  0  0  0\n 37 36  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  2  0  0  0  0\n 40 38  1  0  0  0  0\n 41 40  1  0  0  0  0\n 41 42  1  0  0  0  0\n 42 43  2  0  0  0  0\n 42 44  1  0  0  0  0\n 40 45  1  1  0  0  0\n 45 46  1  0  0  0  0\n 45 47  1  0  0  0  0\n 36 48  1  1  0  0  0\n 48 49  1  0  0  0  0\n 35 50  2  0  0  0  0\nM  END","smiles":"CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)C","formula":"C28H55N15O7","opticalActivity":"UNSPECIFIED","atropisomerism":"No","stereoCenters":5,"definedStereo":5,"ezCenters":0,"charge":0,"mwt":713.8337,"count":1,"createdBy":"ADMIN","lastEditedBy":"ADMIN","stereochemistry":"ABSOLUTE","access":[],"references":["61d46c83-6576-41ce-8ffd-8c245247a294","b8ab86c0-d098-4303-860d-8e0b2cefacab","deca0cc8-7c55-46f0-91c8-e3d4b540fa5e"],"_inchiKey":"ZPSIKZCGZCSUNF-HVTWWXFQSA-N","_inchi":"InChI=1S/C28H55N15O7/c1-14(2)20(39-15(3)45)25(50)43-19(13-44)24(49)42-18(9-6-12-38-28(34)35)23(48)41-17(8-5-11-37-27(32)33)22(47)40-16(21(29)46)7-4-10-36-26(30)31/h14,16-20,44H,4-13H2,1-3H3,(H2,29,46)(H,39,45)(H,40,47)(H,41,48)(H,42,49)(H,43,50)(H4,30,31,36)(H4,32,33,37)(H4,34,35,38)/t16-,17-,18-,19-,20-/m0/s1","hash":"ZPSIKZCGZCSUNF_HVTWWXFQSA_N"},"_name":"CN-105","_approvalIDDisplay":"W525NLS74J","access":[],"_self":"https://gsrs.ncats.nih.gov/api/v1/substances(6e19e86d-def2-4334-a6b9-6f1985d1a6ac)?view=full","_moieties":{"count":1,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(6e19e86d-def2-4334-a6b9-6f1985d1a6ac)/moieties"},"_names":{"count":3,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(6e19e86d-def2-4334-a6b9-6f1985d1a6ac)/names"},"_codes":{"count":5,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(6e19e86d-def2-4334-a6b9-6f1985d1a6ac)/codes"},"_modifications":{"count":0,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(6e19e86d-def2-4334-a6b9-6f1985d1a6ac)/modifications"},"_properties":{"count":1,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(6e19e86d-def2-4334-a6b9-6f1985d1a6ac)/properties"},"_relationships":{"count":4,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(6e19e86d-def2-4334-a6b9-6f1985d1a6ac)/relationships"},"_references":{"count":7,"url":"https://gsrs.ncats.nih.gov/api/v1/substances(6e19e86d-def2-4334-a6b9-6f1985d1a6ac)/references"}}