ABX
Summary
| Name: | 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE |
| Formula: | C14 H24 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 300.351 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4R,5R)-5-[(1S)-1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)-D-proline |
| OpenEye OEToolkits | 1.5.0 | (2R,4R,5R)-5-[(1S)-1-acetamido-3-methyl-butyl]-4-methoxycarbonyl-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C1NC(C(=O)O)CC1C(=O)OC)CC(C)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | COC(=O)[CH]1C[CH](N[CH]1[CH](CC(C)C)NC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C(=O)OC)NC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(C1C(CC(N1)C(=O)O)C(=O)OC)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | OXAVBPLKPVSWSQ-WRWGMCAJSA-N |
