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

Systemtic Name: (2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-butyric acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4/c1-12(2)16(18(25)26)21-19(27)23-9-7-22(8-10-23)17(24)14-11-20-15-6-4-3-5-13(14)15/h3-6,11-12,16,20H,7-10H2,1-2H3,(H,21,27)(H,25,26)/t16-/m0/s1