2-azanylbutanedioic acid; 3-oxidanyl-2-phenylazanyl-propanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 3-oxidanyl-2-phenylazanyl-propanoic acid Openeye Name: 2-aminobutanedioic acid; 2-anilino-3-hydroxy-propanoic acid CAS Name: 2-aminobutanedioic acid; 2-anilino-3-hydroxypropanoic acid IUPAC Name: 2-aminobutanedioic acid; 2-anilino-3-hydroxypropanoic acid Traditional Name: 2-aminosuccinic acid; 2-anilino-3-hydroxy-propionic acid Formula: C13H18N2O7 MolecularWeight: 314.29122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.C4H7NO4/c11-6-8(9(12)13)10-7-4-2-1-3-5-7;5-2(4(8)9)1-3(6)7/h1-5,8,10-11H,6H2,(H,12,13);2H,1,5H2,(H,6,7)(H,8,9)