(2S)-2-(azepan-1-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (2S)-2-(azepan-1-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (2S)-2-(azepane-1-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[1-azepanyl(oxo)methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-(azepane-1-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(azepane-1-carbonylamino)-3-phenyl-propionate Formula: C16H21N2O3- MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c19-15(20)14(12-13-8-4-3-5-9-13)17-16(21)18-10-6-1-2-7-11-18/h3-5,8-9,14H,1-2,6-7,10-12H2,(H,17,21)(H,19,20)/p-1/t14-/m0/s1