(2S)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(6-bromo-1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C=CC2=C1C=C(C=C2)Br

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=C(C=C2)Br

InChI

InChI=1S/C15H17BrN2O3S/c1-22-7-5-12(15(20)21)17-14(19)9-18-6-4-10-2-3-11(16)8-13(10)18/h2-4,6,8,12H,5,7,9H2,1H3,(H,17,19)(H,20,21)/t12-/m0/s1