0ZB
Summary
| Name: | N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine |
| Formula: | C18 H25 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 379.408 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine |
| OpenEye OEToolkits | 1.6.1 | (3S)-3-[[(2S)-2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]-4-oxo-4-(phenylmethylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NO)C(C(=O)NC(C(=O)NCc1ccccc1)CC(=O)O)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)C[C@@H](C(=O)NO)C(=O)N[C@H](CC(O)=O)C(=O)NCc1ccccc1 |
| SMILES | CACTVS | 3.352 | CC(C)C[CH](C(=O)NO)C(=O)N[CH](CC(O)=O)C(=O)NCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C18H25N3O6/c1-11(2)8-13(17(25)21-27)16(24)20-14(9-15(22)23)18(26)19-10-12-6-4-3-5-7-12/h3-7,11,13-14,27H,8-10H2,1-2H3,(H,19,26)(H,20,24)(H,21,25)(H,22,23)/t13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | JXOYCIWPPBHZCO-KBPBESRZSA-N |
