QZG
Summary
| Name: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide |
| Formula: | C23 H41 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 439.589 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide |
| OpenEye OEToolkits | 2.0.7 | (4-propan-2-ylcyclohexyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(NC(CC(C)C)C(NC(CC1C(=O)NCC1)CO)=O)OC2CCC(CC2)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C23H41N3O5/c1-14(2)11-20(22(29)25-18(13-27)12-17-9-10-24-21(17)28)26-23(30)31-19-7-5-16(6-8-19)15(3)4/h14-20,27H,5-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19-,20-/m0/s1 |
| InChIKey | InChI | 1.03 | SPCFKQMKRNNPLF-HVTWWXFQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)O[C@H]1CC[C@@H](CC1)C(C)C)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)O[CH]1CC[CH](CC1)C(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OC2CCC(CC2)C(C)C |
