S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-phenylazanyl-heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-phenylazanyl-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-7-anilino-6-(tert-butoxycarbonylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-anilino-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-anilino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-7-anilino-6-(tert-butoxycarbonylamino)-7-keto-heptyl] ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4S/c1-16(2)20(26)29-15-11-7-10-14-18(24-21(27)28-22(3,4)5)19(25)23-17-12-8-6-9-13-17/h6,8-9,12-13,16,18H,7,10-11,14-15H2,1-5H3,(H,23,25)(H,24,27)/t18-/m0/s1