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

Systemtic Name: (2S)-2-[2-(4-chloranylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(4-chloro-1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C15H17ClN2O3S MolecularWeight: 340.82508

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1C=CC2=C1C=CC=C2Cl

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=CC=C2Cl

InChI

InChI=1S/C15H17ClN2O3S/c1-22-8-6-12(15(20)21)17-14(19)9-18-7-5-10-11(16)3-2-4-13(10)18/h2-5,7,12H,6,8-9H2,1H3,(H,17,19)(H,20,21)/t12-/m0/s1