S-(4-methylphenyl) (2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanethioate

Systemtic Name: S-(4-methylphenyl) (2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanethioate Openeye Name: S-(p-tolyl) (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanethioate CAS Name: (2S)-2-[[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenylpropanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) (2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanethioate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanethioic acid S-(p-tolyl) ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O4S/c1-20(2)26(31-29(34)35-19-23-12-8-5-9-13-23)27(32)30-25(18-22-10-6-4-7-11-22)28(33)36-24-16-14-21(3)15-17-24/h4-17,20,25-26H,18-19H2,1-3H3,(H,30,32)(H,31,34)/t25-,26-/m0/s1