S-(4-methylphenyl) (2S)-2,6-bis(phenylmethoxycarbonylamino)hexanethioate

Systemtic Name: S-(4-methylphenyl) (2S)-2,6-bis(phenylmethoxycarbonylamino)hexanethioate Openeye Name: S-(p-tolyl) (2S)-2,6-bis(benzyloxycarbonylamino)hexanethioate CAS Name: (2S)-2,6-bis(phenylmethoxycarbonylamino)hexanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) (2S)-2,6-bis(phenylmethoxycarbonylamino)hexanethioate Traditional Name: (2S)-2,6-bis(benzyloxycarbonylamino)hexanethioic acid S-(p-tolyl) ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)[C@H](CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O5S/c1-22-15-17-25(18-16-22)37-27(32)26(31-29(34)36-21-24-12-6-3-7-13-24)14-8-9-19-30-28(33)35-20-23-10-4-2-5-11-23/h2-7,10-13,15-18,26H,8-9,14,19-21H2,1H3,(H,30,33)(H,31,34)/t26-/m0/s1