2-azanyl-3-phenyl-propanoic acid; 2-(phenylmethoxycarbonylamino)pentanedioic acid

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2-(phenylmethoxycarbonylamino)pentanedioic acid Openeye Name: 2-amino-3-phenyl-propanoic acid; 2-(benzyloxycarbonylamino)pentanedioic acid CAS Name: 2-amino-3-phenylpropanoic acid; 2-(phenylmethoxycarbonylamino)pentanedioic acid IUPAC Name: 2-amino-3-phenylpropanoic acid; 2-(phenylmethoxycarbonylamino)pentanedioic acid Traditional Name: 2-amino-3-phenyl-propionic acid; 2-(benzyloxycarbonylamino)glutaric acid Formula: C22H26N2O8 MolecularWeight: 446.45044

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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)COC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6.C9H11NO2/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18);1-5,8H,6,10H2,(H,11,12)