[(E)-3-azanyl-4-oxidanyl-nonadec-5-enyl] 2-[[2,3-bis(oxidanyl)propanoylamino]methyl]-3-methyl-butanoate

Systemtic Name: [(E)-3-azanyl-4-oxidanyl-nonadec-5-enyl] 2-[[2,3-bis(oxidanyl)propanoylamino]methyl]-3-methyl-butanoate Openeye Name: [(E)-3-amino-4-hydroxy-nonadec-5-enyl] 2-[(2,3-dihydroxypropanoylamino)methyl]-3-methyl-butanoate CAS Name: 2-[[(2,3-dihydroxy-1-oxopropyl)amino]methyl]-3-methylbutanoic acid [(E)-3-amino-4-hydroxynonadec-5-enyl] ester IUPAC Name: [(E)-3-amino-4-hydroxynonadec-5-enyl] 2-[(2,3-dihydroxypropanoylamino)methyl]-3-methylbutanoate Traditional Name: 2-[(glyceroylamino)methyl]-3-methyl-butyric acid [(E)-3-amino-4-hydroxy-nonadec-5-enyl] ester Formula: C28H54N2O6 MolecularWeight: 514.73816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CCOC(=O)C(CNC(=O)C(CO)O)C(C)C)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CCOC(=O)C(CNC(=O)C(CO)O)C(C)C)N)O

InChI

InChI=1S/C28H54N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(32)24(29)18-19-36-28(35)23(22(2)3)20-30-27(34)26(33)21-31/h16-17,22-26,31-33H,4-15,18-21,29H2,1-3H3,(H,30,34)/b17-16+