[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 2-[2,3-bis(oxidanyl)propanoylamino]-3-methyl-butanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 2-[2,3-bis(oxidanyl)propanoylamino]-3-methyl-butanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] 2-(2,3-dihydroxypropanoylamino)-3-methyl-butanoate CAS Name: 2-[(2,3-dihydroxy-1-oxopropyl)amino]-3-methylbutanoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] 2-(2,3-dihydroxypropanoylamino)-3-methylbutanoate Traditional Name: 2-(glyceroylamino)-3-methyl-butyric acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C26H50N2O6 MolecularWeight: 486.685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C(C(C)C)NC(=O)C(CO)O)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)C(C(C)C)NC(=O)C(CO)O)N)O

InChI

InChI=1S/C26H50N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(30)21(27)19-34-26(33)24(20(2)3)28-25(32)23(31)18-29/h16-17,20-24,29-31H,4-15,18-19,27H2,1-3H3,(H,28,32)/b17-16+