A1IVV
Summary
| Name: | (3~{S},4~{R},5~{R},6~{R})-4,6-diacetamido-3-azanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid |
| Synonyms: | (3~{S},4~{R},5~{R},6~{R})-4,6-diacetamido-3-azanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid |
| Formula: | C16 H27 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 341.403 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S},4~{R},5~{R},6~{R})-4,6-diacetamido-3-azanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H27N3O5/c1-5-10(6-2)24-15-13(18-8(3)20)11(16(22)23)7-12(17)14(15)19-9(4)21/h7,10,12-15H,5-6,17H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)/t12-,13+,14+,15+/m0/s1 |
| InChIKey | InChI | 1.06 | DQMSSUUCAPUMMT-GBJTYRQASA-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(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(CC)O[CH]1[CH](NC(C)=O)[CH](N)C=C([CH]1NC(C)=O)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)C)C(=O)O)N)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(CC)OC1C(C(C=C(C1NC(=O)C)C(=O)O)N)NC(=O)C |
