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

Systemtic Name: S-[(6S)-7-(tert-butylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-6-(tert-butoxycarbonylamino)-7-(tert-butylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(tert-butylamino)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(tert-butylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-6-(tert-butoxycarbonylamino)-7-(tert-butylamino)-7-keto-heptyl] ester Formula: C20H38N2O4S MolecularWeight: 402.59172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38N2O4S/c1-14(2)17(24)27-13-11-9-10-12-15(16(23)22-19(3,4)5)21-18(25)26-20(6,7)8/h14-15H,9-13H2,1-8H3,(H,21,25)(H,22,23)/t15-/m0/s1