26M

N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine

Created:	2013-09-03
Last modified:	2014-07-23

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1 entries where 26M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	5
Bond Count	53
Aromatic Bond Count	12

2D diagram of 26M

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Chemical Component Summary
Name	N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine
Systematic Name (OpenEye OEToolkits)	N-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-phenylphenoxy)ethanamide
Formula	C₂₀ H₂₃ N O₇
Molecular Weight	389.399
Type	SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1OC(C(O)C(O)C1O)CO)COc3ccc(c2ccccc2)cc3
SMILES	CACTVS	3.385	OC[CH]1O[CH](NC(=O)COc2ccc(cc2)c3ccccc3)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2ccc(cc2)OCC(=O)NC3C(C(C(C(O3)CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@@H](NC(=O)COc2ccc(cc2)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C20H23NO7/c22-10-15-17(24)18(25)19(26)20(28-15)21-16(23)11-27-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,17-20,22,24-26H,10-11H2,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1
InChIKey	InChI	1.03	NSADEBQKFSASLM-XIKSMUEASA-N

Related Resource References

Resource Name	Reference
PubChem	76210610
ChEMBL	CHEMBL3322341

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