2-[[(3S)-1-(carboxymethyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[(3S)-1-(carboxymethyl)-2-oxidanylidene-azepan-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[(3S)-1-(carboxymethyl)-2-oxo-azepan-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[(3S)-1-(carboxymethyl)-2-oxo-3-azepanyl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[(3S)-1-(carboxymethyl)-2-oxoazepan-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[(3S)-1-(carboxymethyl)-2-keto-azepan-3-yl]amino]-4-phenyl-butyric acid Formula: C18H24N2O5 MolecularWeight: 348.39356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(CCC2=CC=CC=C2)C(=O)O)CC(=O)O

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(CCC2=CC=CC=C2)C(=O)O)CC(=O)O

InChI

InChI=1S/C18H24N2O5/c21-16(22)12-20-11-5-4-8-14(17(20)23)19-15(18(24)25)10-9-13-6-2-1-3-7-13/h1-3,6-7,14-15,19H,4-5,8-12H2,(H,21,22)(H,24,25)/t14-,15?/m0/s1