ethyl 2-[(6S)-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[(6S)-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]ethanoate Openeye Name: ethyl 2-[(6S)-6-(tert-butoxycarbonylamino)-3-methyl-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate CAS Name: 2-[(6S)-3-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6S)-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]acetate Traditional Name: 2-[(6S)-6-(tert-butoxycarbonylamino)-7-keto-3-methyl-5,6-dihydro-2H-azepin-1-yl]acetic acid ethyl ester Formula: C16H26N2O5 MolecularWeight: 326.38804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC(=CCC(C1=O)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)CN1CC(=CC[C@@H](C1=O)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C16H26N2O5/c1-6-22-13(19)10-18-9-11(2)7-8-12(14(18)20)17-15(21)23-16(3,4)5/h7,12H,6,8-10H2,1-5H3,(H,17,21)/t12-/m0/s1