(2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyric acid Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H24N4O4S/c1-28-11-6-16(18(25)26)21-19(27)23-9-7-22(8-10-23)17(24)14-12-20-15-5-3-2-4-13(14)15/h2-5,12,16,20H,6-11H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1