methyl (2S)-3-oxidanyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanethioyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)-1-sulfanylidenepropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanethioyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=S)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=S)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-27-20(25)18(13-24)22-19(29)17(12-15-8-4-2-5-9-15)23-21(26)28-14-16-10-6-3-7-11-16/h2-11,17-18,24H,12-14H2,1H3,(H,22,29)(H,23,26)/t17-,18-/m0/s1