methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)but-2-enethioyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)but-2-enethioyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-but-2-enethioyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[[3-methyl-2-(phenylmethoxycarbonylamino)-1-sulfanylidenebut-2-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[3-methyl-2-(phenylmethoxycarbonylamino)but-2-enethioyl]amino]propanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-but-2-enethioyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=S)NC(CO)C(=O)OC)NC(=O)OCC1=CC=CC=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-11(2)14(15(25)18-13(9-20)16(21)23-3)19-17(22)24-10-12-7-5-4-6-8-12/h4-8,13,20H,9-10H2,1-3H3,(H,18,25)(H,19,22)/t13-/m0/s1