OP0

(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide

Created:	2014-12-09
Last modified:	2024-09-27

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4 entries where OP0 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	0

2D diagram of OP0

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Chemical Component Summary
Name	(2S,5R)-N-(2-aminoethoxy)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	[[(3R,6S)-6-(2-azanylethoxycarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate
Formula	C₉ H₁₈ N₄ O₇ S
Molecular Weight	326.327
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CN1C(C(=O)NOCCN)CCC(NOS(=O)(=O)O)C1
SMILES	CACTVS	3.385	NCCONC(=O)[CH]1CC[CH](CN1C=O)NO[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.9.2	C1CC(N(CC1NOS(=O)(=O)O)C=O)C(=O)NOCCN
Canonical SMILES	CACTVS	3.385	NCCONC(=O)[C@@H]1CC[C@H](CN1C=O)NO[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NOCCN
InChI	InChI	1.03	InChI=1S/C9H18N4O7S/c10-3-4-19-12-9(15)8-2-1-7(5-13(8)6-14)11-20-21(16,17)18/h6-8,11H,1-5,10H2,(H,12,15)(H,16,17,18)/t7-,8+/m1/s1
InChIKey	InChI	1.03	YTAWXXHGLPATIN-SFYZADRCSA-N

Related Resource References

Resource Name	Reference
PubChem	137349848

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