2-azanyl-5-[[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[(2-hydroxy-2-keto-1-protocatechuyl-ethyl)amino]-5-keto-valeric acid Formula: C14H18N2O7 MolecularWeight: 326.30192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CCC(C(=O)O)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CCC(C(=O)O)N)O)O

InChI

InChI=1S/C14H18N2O7/c15-8(13(20)21)2-4-12(19)16-9(14(22)23)5-7-1-3-10(17)11(18)6-7/h1,3,6,8-9,17-18H,2,4-5,15H2,(H,16,19)(H,20,21)(H,22,23)