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

Systemtic Name: 3-[[(E)-octadec-9-enoyl]amino]propyl 3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoate Openeye Name: 3-[[(E)-octadec-9-enoyl]amino]propyl 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoate CAS Name: 3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]propanoic acid 3-[[(E)-1-oxooctadec-9-enyl]amino]propyl ester IUPAC Name: 3-[[(E)-octadec-9-enoyl]amino]propyl 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate Traditional Name: 3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propionic acid 3-[[(E)-octadec-9-enoyl]amino]propyl ester Formula: C30H56N2O6 MolecularWeight: 540.77544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCCOC(=O)CCNC(=O)C(C(C)(C)CO)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCCOC(=O)CCNC(=O)C(C(C)(C)CO)O

InChI

InChI=1S/C30H56N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-26(34)31-22-19-24-38-27(35)21-23-32-29(37)28(36)30(2,3)25-33/h11-12,28,33,36H,4-10,13-25H2,1-3H3,(H,31,34)(H,32,37)/b12-11+