(2S)-2-[2-(3-ethanoylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[2-(3-ethanoylindol-1-yl)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[2-(3-acetyl-1-indolyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(3-acetylindol-1-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-11(20)13-9-19(15-6-4-3-5-12(13)15)10-16(21)18-14(17(22)23)7-8-24-2/h3-6,9,14H,7-8,10H2,1-2H3,(H,18,21)(H,22,23)/t14-/m0/s1