2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-5-oxidanylidene-5-(phenylmethyl)peroxy-pentanoic acid

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-5-oxidanylidene-5-(phenylmethyl)peroxy-pentanoic acid Openeye Name: 5-benzylperoxy-2-[(3,4-dihydroxybenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 2-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-5-oxo-5-(phenylmethyl)dioxypentanoic acid IUPAC Name: 5-benzylperoxy-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-benzylperoxy-5-keto-2-(protocatechuoylamino)valeric acid Formula: C19H19NO8 MolecularWeight: 389.35606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COOC(=O)CCC(C(=O)O)NC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)COOC(=O)CCC(C(=O)O)NC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C19H19NO8/c21-15-8-6-13(10-16(15)22)18(24)20-14(19(25)26)7-9-17(23)28-27-11-12-4-2-1-3-5-12/h1-6,8,10,14,21-22H,7,9,11H2,(H,20,24)(H,25,26)