4-ethylsulfanyl-2-[[(E)-octadec-9-enoyl]amino]butanoic acid

Systemtic Name: 4-ethylsulfanyl-2-[[(E)-octadec-9-enoyl]amino]butanoic acid Openeye Name: 4-ethylsulfanyl-2-[[(E)-octadec-9-enoyl]amino]butanoic acid CAS Name: 4-(ethylthio)-2-[[(E)-1-oxooctadec-9-enyl]amino]butanoic acid IUPAC Name: 4-ethylsulfanyl-2-[[(E)-octadec-9-enoyl]amino]butanoic acid Traditional Name: 4-(ethylthio)-2-[[(E)-octadec-9-enoyl]amino]butyric acid Formula: C24H45NO3S MolecularWeight: 427.684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CCSCC)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CCSCC)C(=O)O

InChI

InChI=1S/C24H45NO3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21-29-4-2/h11-12,22H,3-10,13-21H2,1-2H3,(H,25,26)(H,27,28)/b12-11+