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

Systemtic Name: 2-[[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[[4-[1H-indol-2-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-methyl-valeric acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)N1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C20H26N4O4/c1-3-13(2)17(19(26)27)22-20(28)24-10-8-23(9-11-24)18(25)16-12-14-6-4-5-7-15(14)21-16/h4-7,12-13,17,21H,3,8-11H2,1-2H3,(H,22,28)(H,26,27)