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

Systemtic Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-[(2-phenylphenyl)amino]heptyl] ethanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-oxo-7-(2-phenylanilino)heptyl] ethanethioate CAS Name: ethanethioic acid S-[(6S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-7-(2-phenylanilino)heptyl] ester IUPAC Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(2-phenylanilino)heptyl] ethanethioate Traditional Name: ethanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-keto-7-(2-phenylanilino)heptyl] ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCCCCC[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H34N2O4S/c1-19(29)33-18-12-6-9-17-23(28-25(31)32-26(2,3)4)24(30)27-22-16-11-10-15-21(22)20-13-7-5-8-14-20/h5,7-8,10-11,13-16,23H,6,9,12,17-18H2,1-4H3,(H,27,30)(H,28,31)/t23-/m0/s1