Summary
| Name: | (N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL)PHENYLALANYL)METHYL AMINE |
| Formula: | C18 H27 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 349.425 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)butanediamide |
| OpenEye OEToolkits | 1.5.0 | (2R)-N'-hydroxy-N-[(2S)-1-methylamino-1-oxo-3-phenyl-propan-2-yl]-2-(2-methylpropyl)butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NO)CC(C(=O)NC(C(=O)NC)Cc1ccccc1)CC(C)C |
| InChI | InChI | 1.02b | InChI=1/C18H27N3O4/c1-12(2)9-14(11-16(22)21-25)17(23)20-15(18(24)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,24)(H,20,23)(H,21,22)/t14-,15+/m1/s1/f/h19-21H |
| InChIKey | InChI | 1.02b | MOPRTFSMCQNUCT-FXWMEHRXDT |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |
| SMILES | CACTVS | 3.341 | CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)CC(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccccc1)C(=O)NC |
