2-oxidanyl-5-[3-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(pentylamino)propyl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[3-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(pentylamino)propyl]benzoic acid Openeye Name: 2-hydroxy-5-[2-[(4-hydroxy-4-oxo-butanoyl)amino]-3-oxo-3-(pentylamino)propyl]benzoic acid CAS Name: 2-hydroxy-5-[2-[(4-hydroxy-1,4-dioxobutyl)amino]-3-oxo-3-(pentylamino)propyl]benzoic acid IUPAC Name: 2-hydroxy-5-[2-[(4-hydroxy-4-oxobutanoyl)amino]-3-oxo-3-(pentylamino)propyl]benzoic acid Traditional Name: 5-[3-(amylamino)-2-[(4-hydroxy-4-keto-butanoyl)amino]-3-keto-propyl]-2-hydroxy-benzoic acid Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)O)C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC(=C(C=C1)O)C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H26N2O7/c1-2-3-4-9-20-18(26)14(21-16(23)7-8-17(24)25)11-12-5-6-15(22)13(10-12)19(27)28/h5-6,10,14,22H,2-4,7-9,11H2,1H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28)