methyl (2S)-4-methylsulfanyl-2-[[4-[[(2R)-2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanyl-propanoyl]amino]phenyl]sulfonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-[[(2R)-2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanyl-propanoyl]amino]phenyl]sulfonylamino]butanoate Openeye Name: methyl (2S)-2-[[4-[[(2R)-2-(benzyloxycarbonylamino)-3-benzyloxycarbonylsulfanyl-propanoyl]amino]phenyl]sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[4-[[(2R)-1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethoxycarbonylthio)propyl]amino]phenyl]sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-[[(2R)-2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanylpropanoyl]amino]phenyl]sulfonylamino]butanoate Traditional Name: (2S)-2-[[4-[[(2R)-2-(benzyloxycarbonylamino)-3-(carbobenzoxythio)propanoyl]amino]phenyl]sulfonylamino]-4-(methylthio)butyric acid methyl ester Formula: C31H35N3O9S3 MolecularWeight: 689.8193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(CSC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)[C@H](CSC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H35N3O9S3/c1-41-29(36)26(17-18-44-2)34-46(39,40)25-15-13-24(14-16-25)32-28(35)27(33-30(37)42-19-22-9-5-3-6-10-22)21-45-31(38)43-20-23-11-7-4-8-12-23/h3-16,26-27,34H,17-21H2,1-2H3,(H,32,35)(H,33,37)/t26-,27-/m0/s1