GYU

2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose

Created:	2007-03-21
Last modified:	2020-07-17

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1 entries where GYU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	0

2D diagram of GYU

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Chemical Component Summary
Name	2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose
Synonyms	2-(ACETYLAMINO)-2-DEOXY-1-O-(PROPYLCARBAMOYL)-ALPHA-D-GLUCOPYRANOSE; N-acetyl-1-O-(propylcarbamoyl)-alpha-D-glucosamine; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucose; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-D-glucose; 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-glucose
Systematic Name (OpenEye OEToolkits)	[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
Formula	C₁₂ H₂₂ N₂ O₇
Molecular Weight	306.312
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)NCCC
SMILES	CACTVS	3.341	CCCNC(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCNC(=O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C
Canonical SMILES	CACTVS	3.341	CCCNC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
InChI	InChI	1.03	InChI=1S/C12H22N2O7/c1-3-4-13-12(19)21-11-8(14-6(2)16)10(18)9(17)7(5-15)20-11/h7-11,15,17-18H,3-5H2,1-2H3,(H,13,19)(H,14,16)/t7-,8-,9-,10-,11-/m1/s1
InChIKey	InChI	1.03	WEAGJSCGQDTQRE-ISUQUUIWSA-N

Related Resource References

Resource Name	Reference
PubChem	24779679

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