2-[[1-(carboxymethyl)-2-oxidanylidene-azepan-3-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-(carboxymethyl)-2-oxidanylidene-azepan-3-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(carboxymethyl)-2-oxo-azepan-3-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[1-(carboxymethyl)-2-oxo-3-azepanyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(carboxymethyl)-2-oxoazepan-3-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(carboxymethyl)-2-keto-azepan-3-yl]amino]-3-phenyl-propionic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(CC2=CC=CC=C2)C(=O)O)CC(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(CC2=CC=CC=C2)C(=O)O)CC(=O)O

InChI

InChI=1S/C17H22N2O5/c20-15(21)11-19-9-5-4-8-13(16(19)22)18-14(17(23)24)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,18H,4-5,8-11H2,(H,20,21)(H,23,24)