26V

N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-D-glucopyranosylamine

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

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1 entries where 26V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	5
Bond Count	58
Aromatic Bond Count	6

2D diagram of 26V

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Chemical Component Summary
Name	N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]-beta-D-glucopyranosylamine
Systematic Name (OpenEye OEToolkits)	N-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
Formula	C₂₀ H₂₉ N O₆
Molecular Weight	379.447
Type	SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC1OC(C(O)C(O)C1O)CO)CCCc2ccc3c(c2)CCCC3
SMILES	CACTVS	3.385	OC[CH]1O[CH](NC(=O)CCCc2ccc3CCCCc3c2)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1CCCC(=O)NC3C(C(C(C(O3)CO)O)O)O)CCCC2
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@@H](NC(=O)CCCc2ccc3CCCCc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2
InChI	InChI	1.03	InChI=1S/C20H29NO6/c22-11-15-17(24)18(25)19(26)20(27-15)21-16(23)7-3-4-12-8-9-13-5-1-2-6-14(13)10-12/h8-10,15,17-20,22,24-26H,1-7,11H2,(H,21,23)/t15-,17-,18+,19-,20-/m1/s1
InChIKey	InChI	1.03	XAFXSLABZKEYPA-XIKSMUEASA-N

Related Resource References

Resource Name	Reference
PubChem	76210613
ChEMBL	CHEMBL3322333

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