RT8
Summary
| Name: | NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE |
| Formula: | C24 H28 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 404.505 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | Nalpha-[(trans-4-methylcyclohexyl)carbonyl]-N-pyridin-4-yl-D-tryptophanamide |
| OpenEye OEToolkits | 1.6.1 | N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-methyl-cyclohexane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccncc1)C(NC(=O)C2CCC(C)CC2)Cc4c3ccccc3nc4 |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H]1CC[C@H](CC1)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc4ccncc4 |
| SMILES | CACTVS | 3.352 | C[CH]1CC[CH](CC1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(=O)Nc4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC1CCC(CC1)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4 |
| InChI | InChI | 1.03 | InChI=1S/C24H28N4O2/c1-16-6-8-17(9-7-16)23(29)28-22(24(30)27-19-10-12-25-13-11-19)14-18-15-26-21-5-3-2-4-20(18)21/h2-5,10-13,15-17,22,26H,6-9,14H2,1H3,(H,28,29)(H,25,27,30)/t16-,17-,22-/m1/s1 |
| InChIKey | InChI | 1.03 | ICFUCABJWQGTGU-DRSNIGMVSA-N |
