BDW
Summary
| Name: | (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one |
| Formula: | C32 H49 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 535.764 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (5R)-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-2-imino-3-[[4-[[(4S)-2-oxo-4-propyl-imidazolidin-1-yl]methyl]phenyl]methyl]imidazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC[C@H]1CN(Cc2ccc(CN3C(=N)N[C@](CCC4CCCCC4)(CC5CCCCC5)C3=O)cc2)C(=O)N1 |
| SMILES | CACTVS | 3.352 | CCC[CH]1CN(Cc2ccc(CN3C(=N)N[C](CCC4CCCCC4)(CC5CCCCC5)C3=O)cc2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCC1CN(C(=O)N1)Cc2ccc(cc2)CN3C(=O)C(NC3=N)(CCC4CCCCC4)CC5CCCCC5 |
| InChI | InChI | 1.03 | InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32+/m0/s1 |
| InChIKey | InChI | 1.03 | SILGEXOUELDSRZ-GMCHKSTQSA-N |
