(2R)-3-methylsulfanyl-2-[[(12Z,15Z)-octadeca-12,15-dienoyl]amino]propanoic acid

Systemtic Name: (2R)-3-methylsulfanyl-2-[[(12Z,15Z)-octadeca-12,15-dienoyl]amino]propanoic acid Openeye Name: (2R)-3-methylsulfanyl-2-[[(12Z,15Z)-octadeca-12,15-dienoyl]amino]propanoic acid CAS Name: (2R)-3-(methylthio)-2-[[(12Z,15Z)-1-oxooctadeca-12,15-dienyl]amino]propanoic acid IUPAC Name: (2R)-3-methylsulfanyl-2-[[(12Z,15Z)-octadeca-12,15-dienoyl]amino]propanoic acid Traditional Name: (2R)-3-(methylthio)-2-[[(12Z,15Z)-octadeca-12,15-dienoyl]amino]propionic acid Formula: C22H39NO3S MolecularWeight: 397.61496

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCCCCCCCCCCC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC/C=C\C/C=C\CCCCCCCCCCC(=O)N[C@@H](CSC)C(=O)O

InChI

InChI=1S/C22H39NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-20(19-27-2)22(25)26/h4-5,7-8,20H,3,6,9-19H2,1-2H3,(H,23,24)(H,25,26)/b5-4-,8-7-/t20-/m0/s1