097
Summary
| Name: | (2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide |
| Synonyms: | MARIMASTAT |
| Formula: | C15 H29 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 331.408 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxo-butan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |
| SMILES | CACTVS | 3.352 | CNC(=O)[CH](NC(=O)[CH](CC(C)C)[CH](O)C(=O)NO)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 |
| InChIKey | InChI | 1.03 | OCSMOTCMPXTDND-OUAUKWLOSA-N |
