2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H21BrN2O5S MolecularWeight: 517.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O5S/c1-13(27)32-20(22(29)14-6-8-16(24)9-7-14)11-21(28)26-19(23(30)31)10-15-12-25-18-5-3-2-4-17(15)18/h2-9,12,19-20,25H,10-11H2,1H3,(H,26,28)(H,30,31)