5VW

[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate

Created:	2015-12-30
Last modified:	2024-09-27

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3 entries where 5VW is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	3
Bond Count	44
Aromatic Bond Count	0

2D diagram of 5VW

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Chemical Component Summary
Name	[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
Synonyms	FPI-1465, bound form
Systematic Name (OpenEye OEToolkits)	[[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate
Formula	C₁₁ H₂₀ N₄ O₇ S
Molecular Weight	352.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[S](=O)(=O)ON[CH]1CC[CH](N(C1)C=O)C(=O)NO[CH]2CCNC2
SMILES	OpenEye OEToolkits	2.0.4	C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NOC2CCNC2
Canonical SMILES	CACTVS	3.385	O[S](=O)(=O)ON[C@@H]1CC[C@H](N(C1)C=O)C(=O)NO[C@H]2CCNC2
Canonical SMILES	OpenEye OEToolkits	2.0.4	C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NO[C@H]2CCNC2
InChI	InChI	1.03	InChI=1S/C11H20N4O7S/c16-7-15-6-8(13-22-23(18,19)20)1-2-10(15)11(17)14-21-9-3-4-12-5-9/h7-10,12-13H,1-6H2,(H,14,17)(H,18,19,20)/t8-,9+,10+/m1/s1
InChIKey	InChI	1.03	RTYOMSYVLRQWIH-UTLUCORTSA-N

Related Resource References

Resource Name	Reference
PubChem	137348407

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