O9N
Summary
| Name: | methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate |
| Formula: | C12 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 222.284 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2O2/c1-16-12(15)11(14)8-10(13)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8,13-14H2,1H3/t10-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | GXDWYXRQHBMHOS-QWRGUYRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H](N)C[C@@H](N)Cc1ccccc1 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH](N)C[CH](N)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C(CC(Cc1ccccc1)N)N |
