3-(5-bromanyl-1H-indol-3-yl)-2-(3-ethanoylsulfanylpropanoylamino)propanoic acid

Systemtic Name: 3-(5-bromanyl-1H-indol-3-yl)-2-(3-ethanoylsulfanylpropanoylamino)propanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoylamino)-3-(5-bromo-1H-indol-3-yl)propanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-3-(5-bromo-1H-indol-3-yl)propanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoylamino)-3-(5-bromo-1H-indol-3-yl)propanoic acid Traditional Name: 2-[3-(acetylthio)propanoylamino]-3-(5-bromo-1H-indol-3-yl)propionic acid Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H17BrN2O4S/c1-9(20)24-5-4-15(21)19-14(16(22)23)6-10-8-18-13-3-2-11(17)7-12(10)13/h2-3,7-8,14,18H,4-6H2,1H3,(H,19,21)(H,22,23)