(2S)-N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(methylsulfonylamino)-3-naphthalen-2-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S,3R)-4-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(methylsulfonylamino)-3-naphthalen-2-ylsulfanyl-propanamide Openeye Name: (2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-nitrophenyl)sulfonyl-amino]propyl]-2-(methanesulfonamido)-3-(2-naphthylsulfanyl)propanamide CAS Name: (2S)-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]-2-(methanesulfonamido)-3-(2-naphthalenylthio)propanamide IUPAC Name: (2S)-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]-1-phenylbutan-2-yl]-2-(methanesulfonamido)-3-naphthalen-2-ylsulfanylpropanamide Traditional Name: (2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl(nosyl)amino]propyl]-2-(methanesulfonamido)-3-(2-naphthylthio)propionamide Formula: C34H40N4O8S3 MolecularWeight: 728.8984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CSC2=CC3=CC=CC=C3C=C2)NS(=O)(=O)C)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CSC2=CC3=CC=CC=C3C=C2)NS(=O)(=O)C)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C34H40N4O8S3/c1-24(2)21-37(49(45,46)30-17-14-28(15-18-30)38(41)42)22-33(39)31(19-25-9-5-4-6-10-25)35-34(40)32(36-48(3,43)44)23-47-29-16-13-26-11-7-8-12-27(26)20-29/h4-18,20,24,31-33,36,39H,19,21-23H2,1-3H3,(H,35,40)/t31-,32+,33+/m0/s1