methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(6-methyl-1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(6-methyl-1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(6-methyl-1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(6-methyl-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-(6-methyl-1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(6-methyl-1H-indol-3-yl)propionic acid methyl ester Formula: C27H29BrN2O4S MolecularWeight: 557.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CN2)CC(C(=O)OC)NC(=O)C(CSC(=O)C)C3CCC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CN2)CC(C(=O)OC)NC(=O)C(CSC(=O)C)C3CCC4=C3C=CC(=C4)Br

InChI

InChI=1S/C27H29BrN2O4S/c1-15-4-7-21-18(13-29-24(21)10-15)12-25(27(33)34-3)30-26(32)23(14-35-16(2)31)22-8-5-17-11-19(28)6-9-20(17)22/h4,6-7,9-11,13,22-23,25,29H,5,8,12,14H2,1-3H3,(H,30,32)