methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O5S/c1-13(2)16(17(22)20-15(10-11-27-4)18(23)25-3)21-19(24)26-12-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,20,22)(H,21,24)/t15-,16?/m0/s1