(phenylmethyl) 3-[(3S)-3-azanyl-2-oxidanylidene-azepan-1-yl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)N)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3/c17-14-8-4-5-10-18(16(14)20)11-9-15(19)21-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2/t14-/m0/s1