2-azanyl-3-[1-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4,4-bis(oxidanyl)-3-phenyl-cyclohexa-2,5-dien-1-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4,4-bis(oxidanyl)-3-phenyl-cyclohexa-2,5-dien-1-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-3-hydroxy-3-oxo-propyl)-4,4-dihydroxy-3-phenyl-cyclohexa-2,5-dien-1-yl]propanoic acid CAS Name: 2-amino-3-[1-(2-amino-3-hydroxy-3-oxopropyl)-4,4-dihydroxy-3-phenyl-1-cyclohexa-2,5-dienyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-amino-3-hydroxy-3-oxopropyl)-4,4-dihydroxy-3-phenylcyclohexa-2,5-dien-1-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-3-hydroxy-3-keto-propyl)-4,4-dihydroxy-3-phenyl-cyclohexa-2,5-dien-1-yl]propionic acid Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(C=CC2(O)O)(CC(C(=O)O)N)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(C=CC2(O)O)(CC(C(=O)O)N)CC(C(=O)O)N

InChI

InChI=1S/C18H22N2O6/c19-13(15(21)22)9-17(10-14(20)16(23)24)6-7-18(25,26)12(8-17)11-4-2-1-3-5-11/h1-8,13-14,25-26H,9-10,19-20H2,(H,21,22)(H,23,24)