KEL
Summary
| Name: | N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine |
| Formula: | C14 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 294.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[[(2R)-4-(hydroxyamino)-4-oxo-2-(phenylmethyl)butanoyl]amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)C(Cc1ccccc1)CC(=O)NO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](NC(=O)[CH](CC(=O)NO)Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(=O)O)NC(=O)C(Cc1ccccc1)CC(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | OJCFZTVYDSKXNM-GXSJLCMTSA-N |
