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

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

CC(C(=O)OCC1=CC=CC=C1)N2CCCCC(C2=O)N

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N2CCCC[C@@H](C2=O)N

InChI

InChI=1S/C16H22N2O3/c1-12(18-10-6-5-9-14(17)15(18)19)16(20)21-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3/t12?,14-/m0/s1