4-[[4-(decylamino)phenyl]carbonylamino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(decylamino)phenyl]carbonylamino]-2,3-bis(oxidanyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(decylamino)benzoyl]amino]-2,3-dihydroxy-4-oxo-butanoic acid CAS Name: 4-[[[4-(decylamino)phenyl]-oxomethyl]amino]-2,3-dihydroxy-4-oxobutanoic acid IUPAC Name: 4-[[4-(decylamino)benzoyl]amino]-2,3-dihydroxy-4-oxobutanoic acid Traditional Name: 4-[[4-(decylamino)benzoyl]amino]-2,3-dihydroxy-4-keto-butyric acid Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCNC1=CC=C(C=C1)C(=O)NC(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C21H32N2O6/c1-2-3-4-5-6-7-8-9-14-22-16-12-10-15(11-13-16)19(26)23-20(27)17(24)18(25)21(28)29/h10-13,17-18,22,24-25H,2-9,14H2,1H3,(H,28,29)(H,23,26,27)