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

Systemtic Name: methyl (2S)-2-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]propanoate Openeye Name: methyl (2S)-2-[(6S)-6-(tert-butoxycarbonylamino)-7-oxo-5,6-dihydro-2H-azepin-1-yl]propanoate CAS Name: (2S)-2-[(6S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]propanoate Traditional Name: (2S)-2-[(6S)-6-(tert-butoxycarbonylamino)-7-keto-5,6-dihydro-2H-azepin-1-yl]propionic acid methyl ester Formula: C15H24N2O5 MolecularWeight: 312.36146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1CC=CCC(C1=O)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC)N1CC=CC[C@@H](C1=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H24N2O5/c1-10(13(19)21-5)17-9-7-6-8-11(12(17)18)16-14(20)22-15(2,3)4/h6-7,10-11H,8-9H2,1-5H3,(H,16,20)/t10-,11-/m0/s1