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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CN(C4=CC=CC=C43)C)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)Br)C(=O)NC(CC3=CN(C4=CC=CC=C43)C)C(=O)OC

InChI

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