cyclopentylmethyl 4-[[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: cyclopentylmethyl 4-[[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: cyclopentylmethyl 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid cyclopentylmethyl ester IUPAC Name: cyclopentylmethyl 4-[[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid cyclopentylmethyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OCC2CCCC2)C(=O)C3=CN=C(N=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OCC2CCCC2)C(=O)C3=CN=C(N=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H33N5O3/c1-31(22-12-10-20(11-13-22)26(33)34-16-17-4-2-3-5-17)25(32)21-14-29-24(30-15-21)19-8-6-18(7-9-19)23(27)28/h6-9,14-15,17,20,22H,2-5,10-13,16H2,1H3,(H3,27,28)