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

Systemtic Name: 2-[[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(5-methoxyindan-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[3-mercapto-2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[3-mercapto-2-(5-methoxyindan-1-yl)propanoyl]amino]propionic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(CC2)C(CS)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(CC2)C(CS)C(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C24H26N2O5S/c1-31-16-4-6-17-13(8-16)2-5-18(17)20(12-32)23(28)26-22(24(29)30)9-14-11-25-21-7-3-15(27)10-19(14)21/h3-4,6-8,10-11,18,20,22,25,27,32H,2,5,9,12H2,1H3,(H,26,28)(H,29,30)