2-azanylbutanedioic acid; 3-azanyl-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 3-azanyl-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]butanoic acid Openeye Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid; 2-aminobutanedioic acid CAS Name: 2-aminobutanedioic acid; 3-amino-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 2-aminobutanedioic acid; 3-amino-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-butyric acid; 2-aminosuccinic acid Formula: C17H23N3O9 MolecularWeight: 413.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5.C4H7NO4/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8;5-2(4(8)9)1-3(6)7/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20);2H,1,5H2,(H,6,7)(H,8,9)