779
Summary
| Name: | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea |
| Formula: | C26 H39 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 453.62 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea |
| OpenEye OEToolkits | 1.7.6 | 1-[(1R,3S)-3-[[(4R)-2-azanylidene-4-(2-cyclohexylethyl)-1-methyl-5-oxidanylidene-imidazolidin-4-yl]methyl]cyclohexyl]-3-phenyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1N(C(=[N@H])NC1(CC3CCCC(NC(=O)Nc2ccccc2)C3)CCC4CCCCC4)C |
| InChI | InChI | 1.03 | InChI=1S/C26H39N5O2/c1-31-23(32)26(30-24(31)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)29-25(33)28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,30)(H2,28,29,33)/t20-,22+,26+/m0/s1 |
| InChIKey | InChI | 1.03 | CVMRAJSOLFSMNH-UNIVCBNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4)C1=O |
| SMILES | CACTVS | 3.385 | CN1C(=N)N[C](CCC2CCCCC2)(C[CH]3CCC[CH](C3)NC(=O)Nc4ccccc4)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C/1\N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1C(=O)C(NC1=N)(CCC2CCCCC2)CC3CCCC(C3)NC(=O)Nc4ccccc4 |
