5-azanyl-4-[[3-naphthalen-1-yloxy-4,5-bis(oxidanyl)cyclohexen-1-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[[3-naphthalen-1-yloxy-4,5-bis(oxidanyl)cyclohexen-1-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[[4,5-dihydroxy-3-(1-naphthyloxy)cyclohexene-1-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[[[4,5-dihydroxy-3-(1-naphthalenyloxy)-1-cyclohexenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[(4,5-dihydroxy-3-naphthalen-1-yloxycyclohexene-1-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-4-[[4,5-dihydroxy-3-(1-naphthoxy)cyclohexene-1-carbonyl]amino]-5-keto-valeric acid Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)NC(CCC(=O)O)C(=O)N)OC2=CC=CC3=CC=CC=C32)O)O

Isomeric SMILES

C1C(C(C(C=C1C(=O)NC(CCC(=O)O)C(=O)N)OC2=CC=CC3=CC=CC=C32)O)O

InChI

InChI=1S/C22H24N2O7/c23-21(29)15(8-9-19(26)27)24-22(30)13-10-16(25)20(28)18(11-13)31-17-7-3-5-12-4-1-2-6-14(12)17/h1-7,11,15-16,18,20,25,28H,8-10H2,(H2,23,29)(H,24,30)(H,26,27)