methyl (2S)-3-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]butanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O5S/c1-17(2)21(23(28)30-3)26-22(27)20(16-32-15-19-12-8-5-9-13-19)25-24(29)31-14-18-10-6-4-7-11-18/h4-13,17,20-21H,14-16H2,1-3H3,(H,25,29)(H,26,27)/t20?,21-/m0/s1