W1C
Summary
| Name: | N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide |
| Formula: | C21 H32 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 420.503 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-{[(pyridin-3-yl)methoxy]carbonyl}-L-leucinamide |
| OpenEye OEToolkits | 2.0.7 | pyridin-3-ylmethyl ~{N}-[(2~{S})-4,4-dimethyl-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 | CC(C)(C)CC(NC(=O)OCc1cccnc1)C(=O)NC(CC1CCNC1=O)CO |
| InChI | InChI | 1.06 | InChI=1S/C21H32N4O5/c1-21(2,3)10-17(25-20(29)30-13-14-5-4-7-22-11-14)19(28)24-16(12-26)9-15-6-8-23-18(15)27/h4-5,7,11,15-17,26H,6,8-10,12-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16+,17-/m0/s1 |
| InChIKey | InChI | 1.06 | YDBCMDSLDVEKPS-BBWFWOEESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)C[CH](NC(=O)OCc1cccnc1)C(=O)N[CH](CO)C[CH]2CCNC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2cccnc2 |
