2-[[2-[(3-bromophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-[(3-bromophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-3-(3-bromophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-3-(3-bromophenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-3-(3-bromophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-3-(3-bromophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H23BrN2O4S MolecularWeight: 503.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC(=CC=C1)Br)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC(=CC=C1)Br)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C23H23BrN2O4S/c1-14(27)31-13-17(9-15-5-4-6-18(24)10-15)22(28)26-21(23(29)30)11-16-12-25-20-8-3-2-7-19(16)20/h2-8,10,12,17,21,25H,9,11,13H2,1H3,(H,26,28)(H,29,30)