A1IVW
Summary
| Name: | (3~{S},4~{R},5~{R},6~{R})-4-acetamido-3-azanyl-5-pentan-3-yloxy-6-(pent-4-ynoylamino)cyclohexene-1-carboxylic acid |
| Formula: | C19 H29 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 379.451 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{R},5~{R},6~{R})-4-acetamido-3-azanyl-5-pentan-3-yloxy-6-(pent-4-ynoylamino)cyclohexene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H29N3O5/c1-5-8-9-15(24)22-16-13(19(25)26)10-14(20)17(21-11(4)23)18(16)27-12(6-2)7-3/h1,10,12,14,16-18H,6-9,20H2,2-4H3,(H,21,23)(H,22,24)(H,25,26)/t14-,16+,17+,18+/m0/s1 |
| InChIKey | InChI | 1.06 | UQWNKPYYRBJNEV-DZOHQFGASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)C=C([C@H]1NC(=O)CCC#C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(CC)O[CH]1[CH](NC(C)=O)[CH](N)C=C([CH]1NC(=O)CCC#C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(CC)O[C@H]1[C@@H]([C@H](C=C([C@H]1NC(=O)CCC#C)C(=O)O)N)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)OC1C(C(C=C(C1NC(=O)CCC#C)C(=O)O)N)NC(=O)C |
