2-[[(E)-17-oxidanylheptadec-7-en-6-yl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[(E)-17-oxidanylheptadec-7-en-6-yl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[(E)-12-hydroxy-1-pentyl-dodec-2-enyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(E)-17-hydroxyheptadec-7-en-6-yl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[(E)-17-hydroxyheptadec-7-en-6-yl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[(E)-1-amyl-12-hydroxy-dodec-2-enyl]amino]-3-mercapto-propionic acid Formula: C20H39NO3S MolecularWeight: 373.59356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCCCCCCCCCO)NC(CS)C(=O)O

Isomeric SMILES

CCCCCC(/C=C/CCCCCCCCCO)NC(CS)C(=O)O

InChI

InChI=1S/C20H39NO3S/c1-2-3-11-14-18(21-19(17-25)20(23)24)15-12-9-7-5-4-6-8-10-13-16-22/h12,15,18-19,21-22,25H,2-11,13-14,16-17H2,1H3,(H,23,24)/b15-12+