2-[[(3E,6E,9E)-octadeca-3,6,9-trienoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[(3E,6E,9E)-octadeca-3,6,9-trienoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[(3E,6E,9E)-octadeca-3,6,9-trienoyl]amino]propanoic acid CAS Name: 3-hydroxy-2-[[(3E,6E,9E)-1-oxooctadeca-3,6,9-trienyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[(3E,6E,9E)-octadeca-3,6,9-trienoyl]amino]propanoic acid Traditional Name: 3-hydroxy-2-[[(3E,6E,9E)-octadeca-3,6,9-trienoyl]amino]propionic acid Formula: C21H35NO4 MolecularWeight: 365.5069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCC=CCC=CCC(=O)NC(CO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26/h9-10,12-13,15-16,19,23H,2-8,11,14,17-18H2,1H3,(H,22,24)(H,25,26)/b10-9+,13-12+,16-15+