ET5

(3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid

Created:	2018-04-11
Last modified:	2024-09-27

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1 entries where ET5 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	2
Bond Count	37
Aromatic Bond Count	5

2D diagram of ET5

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Chemical Component Summary
Name	(3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid
Formula	C₁₀ H₁₄ N₄ O₇ S
Molecular Weight	334.306
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC[CH]1C=C([CH](CN1C(O)=O)NO[S](O)(=O)=O)c2ocnc2
SMILES	OpenEye OEToolkits	2.0.6	c1c(ocn1)C2=CC(N(CC2NOS(=O)(=O)O)C(=O)O)CN
Canonical SMILES	CACTVS	3.385	NC[C@@H]1C=C([C@H](CN1C(O)=O)NO[S](O)(=O)=O)c2ocnc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(ocn1)C2=C[C@H](N(C[C@@H]2NOS(=O)(=O)O)C(=O)O)CN
InChI	InChI	1.03	InChI=1S/C10H14N4O7S/c11-2-6-1-7(9-3-12-5-20-9)8(4-14(6)10(15)16)13-21-22(17,18)19/h1,3,5-6,8,13H,2,4,11H2,(H,15,16)(H,17,18,19)/t6-,8-/m0/s1
InChIKey	InChI	1.03	ABKLGTMGWHFUKR-XPUUQOCRSA-N

Related Resource References

Resource Name	Reference
PubChem	138376567

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