N,N'-bis[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3,6,9,12,15,18-hexaoxaicosanediamide

CAS: 2244684-49-7

Formula: C58H82N8O14S2

SMILES: CC1=C(SC=N1)C1=CC=C(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C(C)(C)C)C=C1

IUPAC: N,N'-bis[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3,6,9,12,15,18-hexaoxaicosanediamide

InChI: InChI=1S/C58H82N8O14S2/c1-37-49(81-35-61-37)41-13-9-39(10-14-41)29-59-53(71)45-27-43(67)31-65(45)55(73)51(57(3,4)5)63-47(69)33-79-25-23-77-21-19-75-17-18-76-20-22-78-24-26-80-34-48(70)64-52(58(6,7)8)56(74)66-32-44(68)28-46(66)54(72)60-30-40-11-15-42(16-12

Composition: C (59.06%), H (7.01%), N (9.50%), O (18.99%), S (5.44%)

Molar Mass: 1179.46

Atom Count: 164

Heavy Atom Count: 82