A1CDA
Summary
| Name: | (2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide |
| Formula: | C14 H25 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 327.379 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-2-(hydroxyimino)-N-{3-[(3R)-3-(2-{[(2E)-2-(hydroxyimino)acetyl]amino}ethyl)piperidin-1-yl]propyl}acetamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{E})-2-hydroxyimino-~{N}-[3-[(3~{R})-3-[2-[[(2~{E})-2-hydroxyiminoethanoyl]amino]ethyl]piperidin-1-yl]propyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O\N=C\C(=O)NCCC1CCCN(CCCNC(=O)\C=N\O)C1 |
| InChI | InChI | 1.06 | InChI=1S/C14H25N5O4/c20-13(9-17-22)15-5-2-8-19-7-1-3-12(11-19)4-6-16-14(21)10-18-23/h9-10,12,22-23H,1-8,11H2,(H,15,20)(H,16,21)/b17-9+,18-10+/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | KZXNYUVBCIGYGX-RBXMFNTFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O/N=C/C(=O)NCCCN1CCC[C@H](CCNC(=O)/C=N/O)C1 |
| SMILES | CACTVS | 3.385 | ON=CC(=O)NCCCN1CCC[CH](CCNC(=O)C=NO)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@@H](CN(C1)CCCNC(=O)/C=N/O)CCNC(=O)/C=N/O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(CN(C1)CCCNC(=O)C=NO)CCNC(=O)C=NO |
