3KO

(2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one

Created:2014-09-05
Last modified:  2020-06-27

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Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count2
Bond Count73
Aromatic Bond Count0
2D diagram of 3KO
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Chemical Component Summary

Name(2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one
Systematic Name (OpenEye OEToolkits)(5R)-2-azanylidene-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylethanoyl)pyrrolidin-3-yl]methyl]-3-methyl-imidazolidin-4-one
FormulaC24 H40 N4 O2
Molecular Weight416.6
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N3CCC(CC1(C(=O)N(C(=[N@H])N1)C)CCC2CCCCC2)C3)CC4CCCC4
SMILESCACTVS3.385CN1C(=N)N[C](CCC2CCCCC2)(C[CH]3CCN(C3)C(=O)CC4CCCC4)C1=O
SMILESOpenEye OEToolkits1.7.6CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCN(C3)C(=O)CC4CCCC4
Canonical SMILESCACTVS3.385 CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]3CCN(C3)C(=O)CC4CCCC4)C1=O
Canonical SMILESOpenEye OEToolkits1.7.6 [H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4
InChIInChI1.03 InChI=1S/C24H40N4O2/c1-27-22(30)24(26-23(27)25,13-11-18-7-3-2-4-8-18)16-20-12-14-28(17-20)21(29)15-19-9-5-6-10-19/h18-20H,2-17H2,1H3,(H2,25,26)/t20-,24-/m1/s1
InChIKeyInChI1.03 ZROUWOKUKKGJPH-HYBUGGRVSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3354247
PubChem 118720056
ChEMBL CHEMBL3354247