(2S)-2-[2-(2-methyl-1H-indol-3-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(2-methyl-1H-indol-3-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C16H20N2O3S/c1-10-12(11-5-3-4-6-13(11)17-10)9-15(19)18-14(16(20)21)7-8-22-2/h3-6,14,17H,7-9H2,1-2H3,(H,18,19)(H,20,21)/t14-/m0/s1