RO4
Summary
| Name: | [[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER |
| Formula: | C19 H35 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 401.498 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-L-leucyl-L-alaninate |
| OpenEye OEToolkits | 1.5.0 | ethyl (2S)-2-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NO)CC(C(=O)NC(C(=O)NC(C(=O)OCC)C)CC(C)C)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO |
| SMILES | CACTVS | 3.341 | CCOC(=O)[CH](C)NC(=O)[CH](CC(C)C)NC(=O)[CH](CC(C)C)CC(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)CC(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C19H35N3O6/c1-7-28-19(26)13(6)20-18(25)15(9-12(4)5)21-17(24)14(8-11(2)3)10-16(23)22-27/h11-15,27H,7-10H2,1-6H3,(H,20,25)(H,21,24)(H,22,23)/t13-,14+,15-/m0/s1 |
| InChIKey | InChI | 1.03 | XKRONJXEXGFBRZ-ZNMIVQPWSA-N |
