methyl (2R)-2-[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[(3S)-3-amino-2-oxo-azepan-1-yl]-3-phenyl-propanoate CAS Name: (2R)-2-[(3S)-3-amino-2-oxo-1-azepanyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(3S)-3-amino-2-oxoazepan-1-yl]-3-phenylpropanoate Traditional Name: (2R)-2-[(3S)-3-amino-2-keto-azepan-1-yl]-3-phenyl-propionic acid methyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2CCCCC(C2=O)N

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)N2CCCC[C@@H](C2=O)N

InChI

InChI=1S/C16H22N2O3/c1-21-16(20)14(11-12-7-3-2-4-8-12)18-10-6-5-9-13(17)15(18)19/h2-4,7-8,13-14H,5-6,9-11,17H2,1H3/t13-,14+/m0/s1