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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CC(C(=O)OC)NC(=O)C(CSC(=O)C)C3CCC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CC(C(=O)OC)NC(=O)C(CSC(=O)C)C3CCC4=C3C=CC(=C4)Br

InChI

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