2-azanyl-3-icos-7-yn-6-ylsulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-icos-7-yn-6-ylsulfanyl-propanoic acid Openeye Name: 2-amino-3-(1-pentylpentadec-2-ynylsulfanyl)propanoic acid CAS Name: 2-amino-3-(eicos-7-yn-6-ylthio)propanoic acid IUPAC Name: 2-amino-3-icos-7-yn-6-ylsulfanylpropanoic acid Traditional Name: 2-amino-3-(1-amylpentadec-2-ynylthio)propionic acid Formula: C23H43NO2S MolecularWeight: 397.65802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC(CCCCC)SCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCC#CC(CCCCC)SCC(C(=O)O)N

InChI

InChI=1S/C23H43NO2S/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-21(18-16-6-4-2)27-20-22(24)23(25)26/h21-22H,3-16,18,20,24H2,1-2H3,(H,25,26)