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

Systemtic Name: 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]-3-(5-bromanyl-1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(5-bromoindan-1-yl)-3-sulfanyl-propanoyl]amino]-3-(5-bromo-1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-mercapto-1-oxopropyl]amino]-3-(5-bromo-1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]-3-(5-bromo-1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(5-bromoindan-1-yl)-3-mercapto-propanoyl]amino]-3-(5-bromo-1H-indol-3-yl)propionic acid Formula: C23H22Br2N2O3S MolecularWeight: 566.30538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(CS)C(=O)NC(CC3=CNC4=C3C=C(C=C4)Br)C(=O)O)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(CS)C(=O)NC(CC3=CNC4=C3C=C(C=C4)Br)C(=O)O)C=CC(=C2)Br

InChI

InChI=1S/C23H22Br2N2O3S/c24-14-2-5-16-12(7-14)1-4-17(16)19(11-31)22(28)27-21(23(29)30)8-13-10-26-20-6-3-15(25)9-18(13)20/h2-3,5-7,9-10,17,19,21,26,31H,1,4,8,11H2,(H,27,28)(H,29,30)