A1IPK
Summary
| Name: | (2S)-2-[2-(3-methoxyphenoxy)ethanoylamino]-4-methyl-N-[(2S)-3-oxidanylidene-1-phenyl-pentan-2-yl]pentanamide |
| Formula: | C26 H34 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 454.559 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[2-(3-methoxyphenoxy)ethanoylamino]-4-methyl-~{N}-[(2~{S})-3-oxidanylidene-1-phenyl-pentan-2-yl]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H34N2O5/c1-5-24(29)22(15-19-10-7-6-8-11-19)28-26(31)23(14-18(2)3)27-25(30)17-33-21-13-9-12-20(16-21)32-4/h6-13,16,18,22-23H,5,14-15,17H2,1-4H3,(H,27,30)(H,28,31)/t22-,23-/m0/s1 |
| InChIKey | InChI | 1.06 | SKKDMKCPTJKHEB-GOTSBHOMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)COc2cccc(OC)c2 |
| SMILES | CACTVS | 3.385 | CCC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(C)C)NC(=O)COc2cccc(OC)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)COc2cccc(c2)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)COc2cccc(c2)OC |
