W8T

(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid

Created:	2023-05-09
Last modified:	2023-06-14

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1 entries where W8T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	2
Bond Count	43
Aromatic Bond Count	12

2D diagram of W8T

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Chemical Component Summary
Name	(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S})-2-(phenoxymethyl)-1-phenyl-pyrrolidine-3-carboxylic acid
Formula	C₁₈ H₁₉ N O₃
Molecular Weight	297.348
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1
SMILES	CACTVS	3.385	OC(=O)[CH]1CCN([CH]1COc2ccccc2)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2CCC(C2COc3ccccc3)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@H]1CCN([C@H]1COc2ccccc2)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2CC[C@@H]([C@@H]2COc3ccccc3)C(=O)O
InChI	InChI	1.06	InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1
InChIKey	InChI	1.06	ZUZAMWXPEJPXLO-IRXDYDNUSA-N

Related Resource References

Resource Name	Reference
PubChem	168300909

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