C8V

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

Created:	2017-09-19
Last modified:	2024-09-27

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4 entries where C8V is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	3
Bond Count	50
Aromatic Bond Count	0

2D diagram of C8V

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Chemical Component Summary
Name	(2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide
Synonyms	OPEN FORM - Zidebactam
Systematic Name (OpenEye OEToolkits)	[[(3~{R},6~{S})-1-methanoyl-6-[[[(3~{R})-piperidin-3-yl]carbonylamino]carbamoyl]piperidin-3-yl]amino] hydrogen sulfate
Formula	C₁₃ H₂₃ N₅ O₇ S
Molecular Weight	393.416
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O
SMILES	CACTVS	3.385	O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NNC(=O)[CH]2CCCNC2
SMILES	OpenEye OEToolkits	2.0.6	C1CC(CNC1)C(=O)NNC(=O)C2CCC(CN2C=O)NOS(=O)(=O)O
Canonical SMILES	CACTVS	3.385	O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NNC(=O)[C@@H]2CCCNC2
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=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

Related Resource References

Resource Name	Reference
PubChem	137349066

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