AUS

(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide

Created:	2021-12-06
Last modified:	2022-12-14

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1 entries where AUS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	5

2D diagram of AUS

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Chemical Component Summary
Name	(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
Formula	C₁₄ H₁₈ N₂ O₂
Molecular Weight	246.305
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(Nc1noc2CCCCc12)[CH]3CC34CCC4
SMILES	OpenEye OEToolkits	2.0.7	C1CCc2c(c(no2)NC(=O)C3CC34CCC4)C1
Canonical SMILES	CACTVS	3.385	O=C(Nc1noc2CCCCc12)[C@@H]3CC34CCC4
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CCc2c(c(no2)NC(=O)[C@@H]3CC34CCC4)C1
InChI	InChI	1.06	InChI=1S/C14H18N2O2/c17-13(10-8-14(10)6-3-7-14)15-12-9-4-1-2-5-11(9)18-16-12/h10H,1-8H2,(H,15,16,17)/t10-/m0/s1
InChIKey	InChI	1.06	LRTIDDCMWUKSQP-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	166001303

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.