(2S)-2-[3-(6-bromanylindol-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[3-(6-bromanylindol-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-4-(methylthio)butyric acid Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCN1C=CC2=C1C=C(C=C2)Br

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CCN1C=CC2=C1C=C(C=C2)Br

InChI

InChI=1S/C16H19BrN2O3S/c1-23-9-6-13(16(21)22)18-15(20)5-8-19-7-4-11-2-3-12(17)10-14(11)19/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1