8KO
Summary
| Name: | (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-N-oxidanyl-pentanamide |
| Formula: | C16 H25 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 323.387 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[[(2~{S},3~{R})-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-~{N}-oxidanyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H25N3O4/c1-10(2)8-13(15(21)19-23)18-16(22)14(20)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,20,23H,8-9,17H2,1-2H3,(H,18,22)(H,19,21)/t12-,13+,14+/m1/s1 |
| InChIKey | InChI | 1.03 | PDGKGKXSTPZBJG-RDBSUJKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)NO |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)[CH](O)[CH](N)Cc1ccccc1)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)C[C@@H](C(=O)NO)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(C(=O)NO)NC(=O)C(C(Cc1ccccc1)N)O |
