4-azanyl-2-oxidanyl-4-oxidanylidene-butanoic acid; 2-(ethoxycarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: 4-azanyl-2-oxidanyl-4-oxidanylidene-butanoic acid; 2-(ethoxycarbonylamino)-3-phenyl-propanoic acid Openeye Name: 4-amino-2-hydroxy-4-oxo-butanoic acid; 2-(ethoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: 4-amino-2-hydroxy-4-oxobutanoic acid; 2-(ethoxycarbonylamino)-3-phenylpropanoic acid IUPAC Name: 4-amino-2-hydroxy-4-oxobutanoic acid; 2-(ethoxycarbonylamino)-3-phenylpropanoic acid Traditional Name: 4-amino-2-hydroxy-4-keto-butyric acid; 2-(carbethoxyamino)-3-phenyl-propionic acid Formula: C16H22N2O8 MolecularWeight: 370.35448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=CC=C1)C(=O)O.C(C(C(=O)O)O)C(=O)N

Isomeric SMILES

CCOC(=O)NC(CC1=CC=CC=C1)C(=O)O.C(C(C(=O)O)O)C(=O)N

InChI

InChI=1S/C12H15NO4.C4H7NO4/c1-2-17-12(16)13-10(11(14)15)8-9-6-4-3-5-7-9;5-3(7)1-2(6)4(8)9/h3-7,10H,2,8H2,1H3,(H,13,16)(H,14,15);2,6H,1H2,(H2,5,7)(H,8,9)