2-azanyl-3-phenyl-propanoic acid; 2-benzamidobutanedioic acid

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2-benzamidobutanedioic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 2-benzamidobutanedioic acid CAS Name: 2-amino-3-phenylpropanoic acid; 2-benzamidobutanedioic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 2-benzamidobutanedioic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 2-benzamidosuccinic acid Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H11NO5.C9H11NO2/c13-9(14)6-8(11(16)17)12-10(15)7-4-2-1-3-5-7;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,15)(H,13,14)(H,16,17);1-5,8H,6,10H2,(H,11,12)