2-[(3S)-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-azepan-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-azepan-1-yl]acetic acid CAS Name: 2-[(3S)-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-1-azepanyl]acetic acid IUPAC Name: 2-[(3S)-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxoazepan-1-yl]acetic acid Traditional Name: 2-[(3S)-3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-azepan-1-yl]acetic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCCN(C2=O)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N[C@H]2CCCCN(C2=O)CC(=O)O

InChI

InChI=1S/C20H28N2O5/c1-2-27-20(26)17(12-11-15-8-4-3-5-9-15)21-16-10-6-7-13-22(19(16)25)14-18(23)24/h3-5,8-9,16-17,21H,2,6-7,10-14H2,1H3,(H,23,24)/t16-,17?/m0/s1