(2S)-2-[[(2S)-2-acetamido-3,3-dimethyl-butanoyl]amino]-N-[(2S,3S)-4-[2-[[1-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]butanediamide

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3,3-dimethyl-butanoyl]amino]-N-[(2S,3S)-4-[2-[[1-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]butanediamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-3,3-dimethyl-butanoyl]amino]-N-[(1S,2S)-1-benzyl-3-[2-[[1-[(1-carbamoyl-2-methyl-propyl)carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-hydroxy-propyl]butanediamide CAS Name: (2S)-2-[[(2S)-2-acetamido-3,3-dimethyl-1-oxobutyl]amino]-N-[(2S,3S)-4-[2-[[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-hydroxy-1-phenylbutan-2-yl]butanediamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3,3-dimethylbutanoyl]amino]-N-[(2S,3S)-4-[2-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]butanediamide Traditional Name: (2S)-2-[[(2S)-2-acetamido-3,3-dimethyl-butanoyl]amino]-N-[(1S,2S)-1-benzyl-3-[2-[[1-[(1-carbamoyl-2-methyl-propyl)carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidino]-2-hydroxy-propyl]succinamide Formula: C38H62N8O8 MolecularWeight: 758.94768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)N)NC(=O)C1CCCN1CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(C(C)(C)C)NC(=O)C)O

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)C)C(=O)N)NC(=O)C1CCCN1C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O

InChI

InChI=1S/C38H62N8O8/c1-9-22(4)31(36(53)44-30(21(2)3)33(40)50)45-35(52)27-16-13-17-46(27)20-28(48)25(18-24-14-11-10-12-15-24)42-34(51)26(19-29(39)49)43-37(54)32(38(6,7)8)41-23(5)47/h10-12,14-15,21-22,25-28,30-32,48H,9,13,16-20H2,1-8H3,(H2,39,49)(H2,40,50)(H,41,47)(H,42,51)(H,43,54)(H,44,53)(H,45,52)/t22?,25-,26-,27?,28-,30?,31?,32+/m0/s1