3-[3,6-bis(oxidanyl)hexadecanoylamino]-4-(2-decoxyethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[3,6-bis(oxidanyl)hexadecanoylamino]-4-(2-decoxyethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-decoxyethylamino)-3-(3,6-dihydroxyhexadecanoylamino)-4-oxo-butanoic acid CAS Name: 4-(2-decoxyethylamino)-3-[(3,6-dihydroxy-1-oxohexadecyl)amino]-4-oxobutanoic acid IUPAC Name: 4-(2-decoxyethylamino)-3-(3,6-dihydroxyhexadecanoylamino)-4-oxobutanoic acid Traditional Name: 4-(2-decoxyethylamino)-3-(3,6-dihydroxyhexadecanoylamino)-4-keto-butyric acid Formula: C32H62N2O7 MolecularWeight: 586.84388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC(CC(=O)NC(CC(=O)O)C(=O)NCCOCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCC(CCC(CC(=O)NC(CC(=O)O)C(=O)NCCOCCCCCCCCCC)O)O

InChI

InChI=1S/C32H62N2O7/c1-3-5-7-9-11-13-15-17-19-27(35)20-21-28(36)25-30(37)34-29(26-31(38)39)32(40)33-22-24-41-23-18-16-14-12-10-8-6-4-2/h27-29,35-36H,3-26H2,1-2H3,(H,33,40)(H,34,37)(H,38,39)