318
Summary
| Name: | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
| Formula: | C34 H40 F2 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 606.703 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
| OpenEye OEToolkits | 1.5.0 | N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(4S)-5-oxo-1-(phenylmethyl)imidazolidin-4-yl]propan-2-yl]-5-methyl-N',N'-dipropyl-benzene-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N(CCC)CCC)c1cc(cc(c1)C(=O)NC(Cc2cc(F)cc(F)c2)C(O)C4C(=O)N(Cc3ccccc3)CN4)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]3NCN(Cc4ccccc4)C3=O |
| SMILES | CACTVS | 3.341 | CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3NCN(Cc4ccccc4)C3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(cc(c2)F)F)C(C3C(=O)N(CN3)Cc4ccccc4)O)C |
| InChI | InChI | 1.03 | InChI=1S/C34H40F2N4O4/c1-4-11-39(12-5-2)33(43)26-14-22(3)13-25(18-26)32(42)38-29(17-24-15-27(35)19-28(36)16-24)31(41)30-34(44)40(21-37-30)20-23-9-7-6-8-10-23/h6-10,13-16,18-19,29-31,37,41H,4-5,11-12,17,20-21H2,1-3H3,(H,38,42)/t29-,30-,31-/m0/s1 |
| InChIKey | InChI | 1.03 | HZWNNIVRFLRAQW-CHQNGUEUSA-N |
