W1U
Summary
| Name: | N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-N~2~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide |
| Formula: | C24 H36 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 444.567 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~-[(2R)-2-phenylazetidine-1-carbonyl]-L-leucinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-~{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]-2-phenyl-azetidine-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO)N1CCC1c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C24H36N4O4/c1-24(2,3)14-19(22(31)26-18(15-29)13-17-9-11-25-21(17)30)27-23(32)28-12-10-20(28)16-7-5-4-6-8-16/h4-8,17-20,29H,9-15H2,1-3H3,(H,25,30)(H,26,31)(H,27,32)/t17-,18+,19-,20+/m0/s1 |
| InChIKey | InChI | 1.06 | RNGRFQJASXSQSF-ZGXWSNOMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C[C@H](NC(=O)N1CC[C@@H]1c2ccccc2)C(=O)N[C@@H](CO)C[C@@H]3CCNC3=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)C[CH](NC(=O)N1CC[CH]1c2ccccc2)C(=O)N[CH](CO)C[CH]3CCNC3=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)N2CC[C@@H]2c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)N2CCC2c3ccccc3 |
