5-azanyl-2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-hydroxy-3-methoxy-benzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(4-hydroxy-3-methoxybenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-(vanilloylamino)valeric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(CCC(=O)N)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC(CCC(=O)N)C(=O)O)O

InChI

InChI=1S/C13H16N2O6/c1-21-10-6-7(2-4-9(10)16)12(18)15-8(13(19)20)3-5-11(14)17/h2,4,6,8,16H,3,5H2,1H3,(H2,14,17)(H,15,18)(H,19,20)