6-(2-azanyl-3-sulfanyl-propanoyl)oxy-6-(4-octylphenyl)-5-oxidanyl-hexanoic acid

Systemtic Name: 6-(2-azanyl-3-sulfanyl-propanoyl)oxy-6-(4-octylphenyl)-5-oxidanyl-hexanoic acid Openeye Name: 6-(2-amino-3-sulfanyl-propanoyl)oxy-5-hydroxy-6-(4-octylphenyl)hexanoic acid CAS Name: 6-(2-amino-3-mercapto-1-oxopropoxy)-5-hydroxy-6-(4-octylphenyl)hexanoic acid IUPAC Name: 6-(2-amino-3-sulfanylpropanoyl)oxy-5-hydroxy-6-(4-octylphenyl)hexanoic acid Traditional Name: 6-(2-amino-3-mercapto-propanoyl)oxy-5-hydroxy-6-(4-octylphenyl)hexanoic acid Formula: C23H37NO5S MolecularWeight: 439.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)OC(=O)C(CS)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)O)O)OC(=O)C(CS)N

InChI

InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-9-17-12-14-18(15-13-17)22(29-23(28)19(24)16-30)20(25)10-8-11-21(26)27/h12-15,19-20,22,25,30H,2-11,16,24H2,1H3,(H,26,27)