(3-acetamido-4-oxidanyl-nonadecyl) 2-[2,3-bis(oxidanyl)propanoylamino]-3-methyl-butanoate

Systemtic Name: (3-acetamido-4-oxidanyl-nonadecyl) 2-[2,3-bis(oxidanyl)propanoylamino]-3-methyl-butanoate Openeye Name: (3-acetamido-4-hydroxy-nonadecyl) 2-(2,3-dihydroxypropanoylamino)-3-methyl-butanoate CAS Name: 2-[(2,3-dihydroxy-1-oxopropyl)amino]-3-methylbutanoic acid (3-acetamido-4-hydroxynonadecyl) ester IUPAC Name: (3-acetamido-4-hydroxynonadecyl) 2-(2,3-dihydroxypropanoylamino)-3-methylbutanoate Traditional Name: 2-(glyceroylamino)-3-methyl-butyric acid (3-acetamido-4-hydroxy-nonadecyl) ester Formula: C29H56N2O7 MolecularWeight: 544.76414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CCOC(=O)C(C(C)C)NC(=O)C(CO)O)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(CCOC(=O)C(C(C)C)NC(=O)C(CO)O)NC(=O)C)O

InChI

InChI=1S/C29H56N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(34)24(30-23(4)33)19-20-38-29(37)27(22(2)3)31-28(36)26(35)21-32/h22,24-27,32,34-35H,5-21H2,1-4H3,(H,30,33)(H,31,36)