OQZ

(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

Created:	2020-03-31
Last modified:	2021-04-14

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1 entries where OQZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	2
Bond Count	50
Aromatic Bond Count	11

2D diagram of OQZ

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Chemical Component Summary
Name	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
Formula	C₁₉ H₂₂ Cl N₃ O₂ S
Molecular Weight	391.915
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3sc(Cl)cc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3ccc(s3)Cl)N
Canonical SMILES	CACTVS	3.385	N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3sc(Cl)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(s3)Cl)N
InChI	InChI	1.03	InChI=1S/C19H22ClN3O2S/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1
InChIKey	InChI	1.03	RAMUDOPEEQUPEA-CVEARBPZSA-N

Related Resource References

Resource Name	Reference
PubChem	155884463

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.