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

Systemtic Name: 2-[[4-[3-(1H-indol-3-yl)propanoyl]piperazin-1-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-[3-(1H-indol-3-yl)-1-oxopropyl]-1-piperazinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-carbonyl]amino]-3-methyl-butyric acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H28N4O4/c1-14(2)19(20(27)28)23-21(29)25-11-9-24(10-12-25)18(26)8-7-15-13-22-17-6-4-3-5-16(15)17/h3-6,13-14,19,22H,7-12H2,1-2H3,(H,23,29)(H,27,28)