(phenylmethyl) (2S)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylsulfanyl-butanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-4-oxo-4-(2-pyridylsulfanyl)butanoate CAS Name: (2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-(2-pyridinylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylsulfanylbutanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-keto-4-(2-pyridylthio)butyric acid benzyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC(=O)SC2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)SC2=CC=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O5S/c27-22(32-21-13-7-8-14-25-21)15-20(23(28)30-16-18-9-3-1-4-10-18)26-24(29)31-17-19-11-5-2-6-12-19/h1-14,20H,15-17H2,(H,26,29)/t20-/m0/s1