4-[3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl]butanoic acid

Systemtic Name: 4-[3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl]butanoic acid Openeye Name: 4-[3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl]butanoic acid CAS Name: 4-[3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl]butanoic acid IUPAC Name: 4-[3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl]butanoic acid Traditional Name: 4-[3-[(3-formamido-2-hydroxy-benzoyl)amino]-8-hexyl-4,9-diketo-2,6-dimethyl-1,5-dioxonan-7-yl]butyric acid Formula: C27H38N2O9 MolecularWeight: 534.59862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)CCCC(=O)O

Isomeric SMILES

CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)CCCC(=O)O

InChI

InChI=1S/C27H38N2O9/c1-4-5-6-7-10-19-18(11-9-14-22(31)32)16(2)37-27(36)23(17(3)38-26(19)35)29-25(34)20-12-8-13-21(24(20)33)28-15-30/h8,12-13,15-19,23,33H,4-7,9-11,14H2,1-3H3,(H,28,30)(H,29,34)(H,31,32)