(phenylmethyl) 5-azanyl-2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 5-azanyl-2-[[3,4-bis(oxidanyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl 5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxo-pentanoate CAS Name: 5-amino-2-[[(3,4-dihydroxyphenyl)-oxomethyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoate Traditional Name: 5-amino-5-keto-2-(protocatechuoylamino)valeric acid benzyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC(=O)N)NC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCC(=O)N)NC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C19H20N2O6/c20-17(24)9-7-14(19(26)27-11-12-4-2-1-3-5-12)21-18(25)13-6-8-15(22)16(23)10-13/h1-6,8,10,14,22-23H,7,9,11H2,(H2,20,24)(H,21,25)