3-azanyl-4-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[benzyl-[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(1,3-dihydroxy-1-oxopropan-2-yl)-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[benzyl-(1,3-dihydroxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[benzyl-(2-hydroxy-2-keto-1-methylol-ethyl)amino]-4-keto-butyric acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(CO)C(=O)O)C(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CN(C(CO)C(=O)O)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C14H18N2O6/c15-10(6-12(18)19)13(20)16(11(8-17)14(21)22)7-9-4-2-1-3-5-9/h1-5,10-11,17H,6-8,15H2,(H,18,19)(H,21,22)