4-methylsulfanyl-2-[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[(9E,11E,13E)-1-oxooctadeca-9,11,13-trienyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]amino]butyric acid Formula: C23H39NO3S MolecularWeight: 409.62566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=C/C=C/C=C/CCCCCCCC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C23H39NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h6-11,21H,3-5,12-20H2,1-2H3,(H,24,25)(H,26,27)/b7-6+,9-8+,11-10+