3-(1H-indol-3-yl)-2-[[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(5-methylsulfanylindan-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-[5-(methylthio)-2,3-dihydro-1H-inden-1-yl]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(5-methylsulfanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-mercapto-2-[5-(methylthio)indan-1-yl]propanoyl]amino]propionic acid Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(CC2)C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CSC1=CC2=C(C=C1)C(CC2)C(CS)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C24H26N2O3S2/c1-31-16-7-9-17-14(10-16)6-8-19(17)20(13-30)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,30H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)