389
Summary
| Name: | L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide |
| Formula: | C27 H36 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 464.6 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H36N4O3/c1-18(2)24(30-25(32)19(3)28)27(34)31-16-10-15-23(31)26(33)29-17-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,18-19,22-24H,10,15-17,28H2,1-3H3,(H,29,33)(H,30,32)/t19-,23-,24-/m0/s1 |
| InChIKey | InChI | 1.03 | ZJCCVSICICQPSQ-IGKWTDBASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(=O)[CH](C)N)C(=O)N1CCC[CH]1C(=O)NCC(c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(C)C(C(=O)N1CCCC1C(=O)NCC(c2ccccc2)c3ccccc3)NC(=O)C(C)N |
