3-(1,3-benzodioxol-5-yl)-3-[[1-(2-methylphenyl)sulfanyl-4-methylsulfanyl-butan-2-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(2-methylphenyl)sulfanyl-4-methylsulfanyl-butan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[3-methylsulfanyl-1-(o-tolylsulfanylmethyl)propyl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[[1-[(2-methylphenyl)thio]-4-(methylthio)butan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(2-methylphenyl)sulfanyl-4-methylsulfanylbutan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[3-(methylthio)-1-[(o-tolylthio)methyl]propyl]carbamoylamino]propionic acid Formula: C23H28N2O5S2 MolecularWeight: 476.60882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(CCSC)NC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1SCC(CCSC)NC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H28N2O5S2/c1-15-5-3-4-6-21(15)32-13-17(9-10-31-2)24-23(28)25-18(12-22(26)27)16-7-8-19-20(11-16)30-14-29-19/h3-8,11,17-18H,9-10,12-14H2,1-2H3,(H,26,27)(H2,24,25,28)