C9D
Summary
| Name: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
| Synonyms: | open form - WCK 5153 |
| Formula: | C12 H21 N5 O7 S |
| Formal charge: | 0 |
| Formula weight: | 379.389 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
| OpenEye OEToolkits | 2.0.6 | [[(3~{R},6~{S})-1-methanoyl-6-[[[(3~{R})-pyrrolidin-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(C2CNCC2)=O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H21N5O7S/c18-7-17-6-9(16-24-25(21,22)23)1-2-10(17)12(20)15-14-11(19)8-3-4-13-5-8/h7-10,13,16H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/t8-,9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | MPNPDELHXLJIKQ-BBBLOLIVSA-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]2CCNC2 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NNC(=O)[CH]2CCNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)[C@@H]2CCNC2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NNC(=O)C2CCNC2 |
