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

Systemtic Name: methyl (2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-5,6-dihydro-2H-azepin-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[6-(tert-butoxycarbonylamino)-7-oxo-5,6-dihydro-2H-azepin-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-5,6-dihydro-2H-azepin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[6-(tert-butoxycarbonylamino)-7-keto-5,6-dihydro-2H-azepin-1-yl]-3-phenyl-propionic acid methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC=CCN(C1=O)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC=CCN(C1=O)[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O5/c1-21(2,3)28-20(26)22-16-12-8-9-13-23(18(16)24)17(19(25)27-4)14-15-10-6-5-7-11-15/h5-11,16-17H,12-14H2,1-4H3,(H,22,26)/t16?,17-/m0/s1