CD7

(2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide

Created:2017-09-20
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count45
Aromatic Bond Count0
2D diagram of CD7

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Chemical Component Summary

Name(2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide
Synonymsopen form - WCK 5153
Systematic Name (OpenEye OEToolkits)[(3~{R})-3-[[[(2~{S})-5-azanylidene-1-methanoyl-piperidin-2-yl]carbonylamino]carbamoyl]pyrrolidin-1-yl] hydrogen sulfate
FormulaC12 H19 N5 O7 S
Molecular Weight377.374
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=CN1C(CCC(/C1)=N)C(NNC(=O)C2CCN(OS(=O)(=O)O)C2)=O
SMILESCACTVS3.385O[S](=O)(=O)ON1CC[CH](C1)C(=O)NNC(=O)[CH]2CCC(=N)CN2C=O
SMILESOpenEye OEToolkits2.0.6C1CC(=N)CN(C1C(=O)NNC(=O)C2CCN(C2)OS(=O)(=O)O)C=O
Canonical SMILESCACTVS3.385 O[S](=O)(=O)ON1CC[C@H](C1)C(=O)NNC(=O)[C@@H]2CCC(=N)CN2C=O
Canonical SMILESOpenEye OEToolkits2.0.6 [H]/N=C\1/CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCN(C2)OS(=O)(=O)O
InChIInChI1.03 InChI=1S/C12H19N5O7S/c13-9-1-2-10(16(6-9)7-18)12(20)15-14-11(19)8-3-4-17(5-8)24-25(21,22)23/h7-8,10,13H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/b13-9-/t8-,10+/m1/s1
InChIKeyInChI1.03 APRDZKRWJZJQAT-NBGMFQDKSA-N