A1D5D
Summary
| Name: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide |
| Synonyms: | L797591 |
| Formula: | C38 H49 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 607.828 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29-,35+/m1/s1 |
| InChIKey | InChI | 1.06 | MZKKCMXXGCRPGX-UYHPJTEGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CCN)CC(C)(C)CNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)N(CCc3ccccc3)CCc4ccccn4 |
| SMILES | CACTVS | 3.385 | C[CH](CCN)CC(C)(C)CNC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N(CCc3ccccc3)CCc4ccccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CCN)CC(C)(C)CNC(=O)[C@H](Cc1cccc2c1cccc2)NC(=O)N(CCc3ccccc3)CCc4ccccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCN)CC(C)(C)CNC(=O)C(Cc1cccc2c1cccc2)NC(=O)N(CCc3ccccc3)CCc4ccccn4 |
