HUT
Summary
| Name: | (2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide |
| Formula: | C25 H39 N3 O |
| Formal charge: | 0 |
| Formula weight: | 397.597 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H39N3O/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)/t24-/m0/s1 |
| InChIKey | InChI | 1.03 | UWVIHWQBZNJHCM-DEOSSOPVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC3CCCCCC3 |
| SMILES | CACTVS | 3.385 | CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCC3CCCCCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCNC(Cc1c[nH]c2c1cccc2)C(=O)NCCCC3CCCCCC3 |
