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

Systemtic Name: 2-methyl-2-[3-[[(E)-octadec-9-enoyl]amino]propylamino]propanoic acid Openeye Name: 2-methyl-2-[3-[[(E)-octadec-9-enoyl]amino]propylamino]propanoic acid CAS Name: 2-methyl-2-[3-[[(E)-1-oxooctadec-9-enyl]amino]propylamino]propanoic acid IUPAC Name: 2-methyl-2-[3-[[(E)-octadec-9-enoyl]amino]propylamino]propanoic acid Traditional Name: 2-methyl-2-[3-[[(E)-octadec-9-enoyl]amino]propylamino]propionic acid Formula: C25H48N2O3 MolecularWeight: 424.66022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCCCNC(C)(C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCCNC(C)(C)C(=O)O

InChI

InChI=1S/C25H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(28)26-21-19-22-27-25(2,3)24(29)30/h11-12,27H,4-10,13-22H2,1-3H3,(H,26,28)(H,29,30)/b12-11+