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

Systemtic Name: S-[(6S)-7-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-7-amino-6-(tert-butoxycarbonylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-amino-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-7-amino-6-(tert-butoxycarbonylamino)-7-keto-heptyl] ester Formula: C16H30N2O4S MolecularWeight: 346.4854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N2O4S/c1-11(2)14(20)23-10-8-6-7-9-12(13(17)19)18-15(21)22-16(3,4)5/h11-12H,6-10H2,1-5H3,(H2,17,19)(H,18,21)/t12-/m0/s1