3-(12-oxidanyloctadecanoylamino)propanoic acid

Systemtic Name: 3-(12-oxidanyloctadecanoylamino)propanoic acid Openeye Name: 3-(12-hydroxyoctadecanoylamino)propanoic acid CAS Name: 3-[(12-hydroxy-1-oxooctadecyl)amino]propanoic acid IUPAC Name: 3-(12-hydroxyoctadecanoylamino)propanoic acid Traditional Name: 3-(12-hydroxyoctadecanoylamino)propionic acid Formula: C21H41NO4 MolecularWeight: 371.55454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)NCCC(=O)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)NCCC(=O)O)O

InChI

InChI=1S/C21H41NO4/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20(24)22-18-17-21(25)26/h19,23H,2-18H2,1H3,(H,22,24)(H,25,26)