C8V
Summary
| Name: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
| Synonyms: | OPEN FORM - Zidebactam |
| Formula: | C13 H23 N5 O7 S |
| Formal charge: | 0 |
| Formula weight: | 393.416 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
| OpenEye OEToolkits | 2.0.6 | [[(3~{R},6~{S})-1-methanoyl-6-[[[(3~{R})-piperidin-3-yl]carbonylamino]carbamoyl]piperidin-3-yl]amino] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | KMYLRFCWFBWPGR-MXWKQRLJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCCNC2 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NNC(=O)[CH]2CCCNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(CNC1)C(=O)NNC(=O)C2CCC(CN2C=O)NOS(=O)(=O)O |
