I68
Summary
| Name: | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
| Formula: | C25 H47 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 497.671 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]amino]-4,4-dimethyl-~{N}-[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)NC(=O)NC(C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C25H47N5O5/c1-23(2,3)13-17(20(33)27-16(14-31)12-15-10-11-26-19(15)32)28-21(34)18(24(4,5)6)29-22(35)30-25(7,8)9/h15-18,31H,10-14H2,1-9H3,(H,26,32)(H,27,33)(H,28,34)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1 |
| InChIKey | InChI | 1.03 | AXOUOMLRYWWRDK-XLAORIBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C[C@H](NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)C[CH](NC(=O)[CH](NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)N[CH](CO)C[CH]1CCNC1=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)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C |
