S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-[(3-phenylphenyl)amino]heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-[(3-phenylphenyl)amino]heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-oxo-7-(3-phenylanilino)heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-7-(3-phenylanilino)heptyl] ester IUPAC Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(3-phenylanilino)heptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-keto-7-(3-phenylanilino)heptyl] ester Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H38N2O4S/c1-20(2)26(32)35-18-11-7-10-17-24(30-27(33)34-28(3,4)5)25(31)29-23-16-12-15-22(19-23)21-13-8-6-9-14-21/h6,8-9,12-16,19-20,24H,7,10-11,17-18H2,1-5H3,(H,29,31)(H,30,33)/t24-/m0/s1