023
Summary
| Name: | N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY)AMINO]ETHYL}-5-PHENYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDE |
| Formula: | C21 H33 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 391.504 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~2~-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide |
| OpenEye OEToolkits | 1.6.1 | (2R)-N-[(2S)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]-2-[(1S)-1-(hydroxy-methanoyl-amino)ethyl]-5-phenyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC)C(NC(=O)C(CCCc1ccccc1)C(N(O)C=O)C)C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CNC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](C)N(O)C=O)C(C)(C)C |
| SMILES | CACTVS | 3.352 | CNC(=O)[CH](NC(=O)[CH](CCCc1ccccc1)[CH](C)N(O)C=O)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C(CCCc1ccccc1)C(=O)NC(C(=O)NC)C(C)(C)C)N(C=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1 |
| InChIKey | InChI | 1.03 | GHVMTHKJUAOZJP-CGTJXYLNSA-N |
