3-(2-acetamidoethanoylamino)-3-(5-methyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)propanoic acid

Systemtic Name: 3-(2-acetamidoethanoylamino)-3-(5-methyl-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)propanoic acid Openeye Name: 3-[(2-acetamidoacetyl)amino]-3-(5-methyl-6-oxo-cyclohexa-1,4-dien-1-yl)propanoic acid CAS Name: 3-[(2-acetamido-1-oxoethyl)amino]-3-(5-methyl-6-oxo-1-cyclohexa-1,4-dienyl)propanoic acid IUPAC Name: 3-[(2-acetamidoacetyl)amino]-3-(5-methyl-6-oxocyclohexa-1,4-dien-1-yl)propanoic acid Traditional Name: 3-[(2-acetamidoacetyl)amino]-3-(6-keto-5-methyl-cyclohexa-1,4-dien-1-yl)propionic acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC=C(C1=O)C(CC(=O)O)NC(=O)CNC(=O)C

Isomeric SMILES

CC1=CCC=C(C1=O)C(CC(=O)O)NC(=O)CNC(=O)C

InChI

InChI=1S/C14H18N2O5/c1-8-4-3-5-10(14(8)21)11(6-13(19)20)16-12(18)7-15-9(2)17/h4-5,11H,3,6-7H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)