2-[[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]methyl]-3-[[(E)-octadec-9-enoyl]amino]butanoate

Systemtic Name: 2-[[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]methyl]-3-[[(E)-octadec-9-enoyl]amino]butanoate Openeye Name: 2-[[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]methyl]-3-[[(E)-octadec-9-enoyl]amino]butanoate CAS Name: 2-[[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]methyl]-3-[[(E)-1-oxooctadec-9-enyl]amino]butanoate IUPAC Name: 2-[[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]methyl]-3-[[(E)-octadec-9-enoyl]amino]butanoate Traditional Name: 2-[[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]methyl]-3-[[(E)-octadec-9-enoyl]amino]butyrate Formula: C29H53N2O6- MolecularWeight: 525.74092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C)C(CNC(=O)C(C(C)(C)CO)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C)C(CNC(=O)C(C(C)(C)CO)O)C(=O)[O-]

InChI

InChI=1S/C29H54N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(33)31-23(2)24(28(36)37)21-30-27(35)26(34)29(3,4)22-32/h12-13,23-24,26,32,34H,5-11,14-22H2,1-4H3,(H,30,35)(H,31,33)(H,36,37)/p-1/b13-12+