methyl 2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(5-oxidanyl-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-oxidanyl-1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(5-hydroxy-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-hydroxy-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-hydroxy-1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(5-bromoindan-1-yl)propanoyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propionic acid methyl ester Formula: C26H27BrN2O5S MolecularWeight: 559.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN2O5S/c1-14(30)35-13-22(20-6-3-15-9-17(27)4-7-19(15)20)25(32)29-24(26(33)34-2)10-16-12-28-23-8-5-18(31)11-21(16)23/h4-5,7-9,11-12,20,22,24,28,31H,3,6,10,13H2,1-2H3,(H,29,32)