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GYU : Summary

Code

GYU

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(acetylamino)-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose
OpenEye OEToolkits 1.5.0 [(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate

Formula

C12 H22 N2 O7

Formal charge

0

Molecular weight

306.312 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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

IUPAC InChI key

WEAGJSCGQDTQRE-ISUQUUIWSA-N
GYU

wwPDB Information

Atom count

43 (21 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

PA1

Defined at

2007-03-21

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned