HTA
Summary
| Name: | N-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE |
| Formula: | C19 H29 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 379.451 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-N~4~-hydroxy-N~1~-[(1S)-1-(4-methoxybenzyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide |
| OpenEye OEToolkits | 1.5.0 | (2R)-N'-hydroxy-N-[(2S)-3-(4-methoxyphenyl)-1-methylamino-1-oxo-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)Cc1ccc(OC)cc1)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO |
| SMILES | CACTVS | 3.341 | CNC(=O)[CH](Cc1ccc(OC)cc1)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](Cc1ccc(cc1)OC)C(=O)NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | QYZPDCGWIJYZMN-ZBFHGGJFSA-N |
