AO2
Summary
| Name: | N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE |
| Formula: | C17 H27 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 305.415 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N'-(4-methylphenyl)butanehydrazide |
| OpenEye OEToolkits | 1.5.0 | (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N'-(4-methylphenyl)butanehydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NNc1ccc(cc1)C)C(O)C(N)CC2CCCCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(NNC(=O)[C@@H](O)[C@H](N)CC2CCCCC2)cc1 |
| SMILES | CACTVS | 3.341 | Cc1ccc(NNC(=O)[CH](O)[CH](N)CC2CCCCC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)NNC(=O)C(C(CC2CCCCC2)N)O |
| InChI | InChI | 1.03 | InChI=1S/C17H27N3O2/c1-12-7-9-14(10-8-12)19-20-17(22)16(21)15(18)11-13-5-3-2-4-6-13/h7-10,13,15-16,19,21H,2-6,11,18H2,1H3,(H,20,22)/t15-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | IQMLIGOOOFEBAH-CVEARBPZSA-N |
