3-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylcarbamoylamino]butanoic acid

Systemtic Name: 3-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylcarbamoylamino]butanoic acid Openeye Name: 3-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylcarbamoylamino]butanoic acid CAS Name: 3-methyl-3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butylamino]methyl]amino]butanoic acid IUPAC Name: 3-methyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylcarbamoylamino]butanoic acid Traditional Name: 3-methyl-3-[4-[4-(2-pyrimidyl)piperazino]butylcarbamoylamino]butyric acid Formula: C18H30N6O3 MolecularWeight: 378.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)NC(=O)NCCCCN1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CC(C)(CC(=O)O)NC(=O)NCCCCN1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C18H30N6O3/c1-18(2,14-15(25)26)22-17(27)21-6-3-4-9-23-10-12-24(13-11-23)16-19-7-5-8-20-16/h5,7-8H,3-4,6,9-14H2,1-2H3,(H,25,26)(H2,21,22,27)