V63

[(1R,5S)-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE

Created:	2011-01-12
Last modified:	2011-06-04

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1 entries where V63 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	2
Bond Count	36
Aromatic Bond Count	6

2D diagram of V63

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Chemical Component Summary
Name	[(1R,5S)-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE
Systematic Name (OpenEye OEToolkits)	[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] benzoate
Formula	C₁₄ H₁₇ N O₂
Molecular Weight	231.29
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	O=C(OC1C[CH]2CC[CH](C1)N2)c3ccccc3
SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)C(=O)OC2CC3CCC(C2)N3
Canonical SMILES	CACTVS	3.352	O=C(OC1C[C@H]2CC[C@@H](C1)N2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1ccc(cc1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3
InChI	InChI	1.03	InChI=1S/C14H17NO2/c16-14(10-4-2-1-3-5-10)17-13-8-11-6-7-12(9-13)15-11/h1-5,11-13,15H,6-9H2/t11-,12+,13+
InChIKey	InChI	1.03	AZHSHGVBEAPALY-ITGUQSILSA-N

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.