WM7

(3S)-N-benzylpyrrolidin-3-amine

Created:	2020-10-30
Last modified:	2020-11-11

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2 entries where WM7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of WM7

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Chemical Component Summary
Name	(3S)-N-benzylpyrrolidin-3-amine
Systematic Name (OpenEye OEToolkits)	(3~{S})-~{N}-(phenylmethyl)pyrrolidin-3-amine
Formula	C₁₁ H₁₆ N₂
Molecular Weight	176.258
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cccc(CNC1CCNC1)c2
SMILES	CACTVS	3.385	C1C[CH](CN1)NCc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CNC2CCNC2
Canonical SMILES	CACTVS	3.385	C1C[C@@H](CN1)NCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CN[C@H]2CCNC2
InChI	InChI	1.03	InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m0/s1
InChIKey	InChI	1.03	NFLXIAUKMQBTMN-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	54108580

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.