HZM

2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid

Created:	2018-08-01
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	73
Chiral Atom Count	1
Bond Count	76
Aromatic Bond Count	16

2D diagram of HZM

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Chemical Component Summary
Name	2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid
Synonyms	2-{(S)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, bound form
Systematic Name (OpenEye OEToolkits)	2-[(~{S})-[3-[4-(dimethylamino)butanoylamino]phenyl]-(2-piperidin-1-ylethoxy)methyl]thieno[3,2-b]pyridine-7-carboxylic acid
Formula	C₂₈ H₃₆ N₄ O₄ S
Molecular Weight	524.675
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(=O)(O)c2c1sc(cc1ncc2)C(c3cc(ccc3)NC(CCCN(C)C)=O)OCCN4CCCCC4
SMILES	CACTVS	3.385	CN(C)CCCC(=O)Nc1cccc(c1)[CH](OCCN2CCCCC2)c3sc4c(c3)nccc4C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CN(C)CCCC(=O)Nc1cccc(c1)C(c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4
Canonical SMILES	CACTVS	3.385	CN(C)CCCC(=O)Nc1cccc(c1)[C@H](OCCN2CCCCC2)c3sc4c(c3)nccc4C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN(C)CCCC(=O)Nc1cccc(c1)[C@@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4
InChI	InChI	1.03	InChI=1S/C28H36N4O4S/c1-31(2)13-7-10-25(33)30-21-9-6-8-20(18-21)26(36-17-16-32-14-4-3-5-15-32)24-19-23-27(37-24)22(28(34)35)11-12-29-23/h6,8-9,11-12,18-19,26H,3-5,7,10,13-17H2,1-2H3,(H,30,33)(H,34,35)/t26-/m0/s1
InChIKey	InChI	1.03	GTUZDQNWYGEDTB-SANMLTNESA-N

Related Resource References

Resource Name	Reference
PubChem	137349539

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