(3S)-3-azanyl-4-[carboxymethyl(cyclohexa-1,4-dien-1-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[carboxymethyl(cyclohexa-1,4-dien-1-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[carboxymethyl(cyclohexa-1,4-dien-1-yl)amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[carboxymethyl(1-cyclohexa-1,4-dienyl)amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[carboxymethyl(cyclohexa-1,4-dien-1-yl)amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[carboxymethyl(cyclohexa-1,4-dien-1-yl)amino]-4-keto-butyric acid Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)N(CC(=O)O)C(=O)C(CC(=O)O)N

Isomeric SMILES

C1C=CCC(=C1)N(CC(=O)O)C(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C12H16N2O5/c13-9(6-10(15)16)12(19)14(7-11(17)18)8-4-2-1-3-5-8/h1-2,5,9H,3-4,6-7,13H2,(H,15,16)(H,17,18)/t9-/m0/s1