methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(5-methoxy-1H-indol-3-yl)propionic acid methyl ester Formula: C27H29BrN2O5S MolecularWeight: 573.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CNC4=C3C=C(C=C4)OC)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CNC4=C3C=C(C=C4)OC)C(=O)OC

InChI

InChI=1S/C27H29BrN2O5S/c1-15(31)36-14-23(21-7-4-16-10-18(28)5-8-20(16)21)26(32)30-25(27(33)35-3)11-17-13-29-24-9-6-19(34-2)12-22(17)24/h5-6,8-10,12-13,21,23,25,29H,4,7,11,14H2,1-3H3,(H,30,32)