2-azanyl-3-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(E)-1,2-bis(oxidanyl)heptadec-4-en-3-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(E)-1,2-dihydroxyheptadec-4-en-3-yl]thio]propanoic acid IUPAC Name: 2-amino-3-[(E)-1,2-dihydroxyheptadec-4-en-3-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(E)-1-(1,2-dihydroxyethyl)pentadec-2-enyl]thio]propionic acid Formula: C20H39NO4S MolecularWeight: 389.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CO)O)SCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(C(CO)O)SCC(C(=O)O)N

InChI

InChI=1S/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(18(23)15-22)26-16-17(21)20(24)25/h13-14,17-19,22-23H,2-12,15-16,21H2,1H3,(H,24,25)/b14-13+