4-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl-(phenylcarbonyl)amino]butanoic acid

Systemtic Name: 4-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl-(phenylcarbonyl)amino]butanoic acid Openeye Name: 4-[benzoyl-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid CAS Name: 4-[benzoyl-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid IUPAC Name: 4-[benzoyl-[[cyclohexyl(4,5-dihydro-1H-imidazol-2-yl)amino]methyl]amino]butanoic acid Traditional Name: 4-[benzoyl-[[cyclohexyl(2-imidazolin-2-yl)amino]methyl]amino]butyric acid Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3

Isomeric SMILES

C1CCC(CC1)N(CN(CCCC(=O)O)C(=O)C2=CC=CC=C2)C3=NCCN3

InChI

InChI=1S/C21H30N4O3/c26-19(27)12-7-15-24(20(28)17-8-3-1-4-9-17)16-25(21-22-13-14-23-21)18-10-5-2-6-11-18/h1,3-4,8-9,18H,2,5-7,10-16H2,(H,22,23)(H,26,27)