2-azanyl-3-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(E)-1-oxidanylhexadec-3-en-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(E)-1-(hydroxymethyl)pentadec-2-enyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(E)-1-hydroxyhexadec-3-en-2-yl]thio]propanoic acid IUPAC Name: 2-amino-3-[(E)-1-hydroxyhexadec-3-en-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(E)-1-methylolpentadec-2-enyl]thio]propionic acid Formula: C19H37NO3S MolecularWeight: 359.56698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-21)24-16-18(20)19(22)23/h13-14,17-18,21H,2-12,15-16,20H2,1H3,(H,22,23)/b14-13+