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

Systemtic Name: 2-azanyl-5-[[3-[3,4-bis(oxidanyl)phenyl]-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[(3,4-dihydroxyphenyl)methyl]-2-ethoxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-(3,4-dihydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-(3,4-dihydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[(2-ethoxy-2-keto-1-protocatechuyl-ethyl)amino]-5-keto-valeric acid Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C16H22N2O7/c1-2-25-16(24)11(7-9-3-5-12(19)13(20)8-9)18-14(21)6-4-10(17)15(22)23/h3,5,8,10-11,19-20H,2,4,6-7,17H2,1H3,(H,18,21)(H,22,23)