3-methyl-2-[[(E)-octadec-9-enoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[(E)-octadec-9-enoyl]amino]pentanoic acid Openeye Name: 3-methyl-2-[[(E)-octadec-9-enoyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[(E)-1-oxooctadec-9-enyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[(E)-octadec-9-enoyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[(E)-octadec-9-enoyl]amino]valeric acid Formula: C24H45NO3 MolecularWeight: 395.619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(C(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(C(C)CC)C(=O)O

InChI

InChI=1S/C24H45NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(26)25-23(24(27)28)21(3)5-2/h12-13,21,23H,4-11,14-20H2,1-3H3,(H,25,26)(H,27,28)/b13-12+