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EAG : Summary

Code

EAG

One-letter code

X

Molecule name

2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

Systematic names

ProgramVersionName
ACDLabs 10.04 2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
OpenEye OEToolkits 1.5.0 N-[(2R,3R,4R,5S,6R)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide

Formula

C10 H20 N2 O6

Formal charge

0

Molecular weight

264.276 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC1C(O)C(O)C(OC1OCCN)CO)C
SMILES CACTVS 3.341 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCN
SMILES OpenEye OEToolkits 1.5.0 CC(=O)NC1C(C(C(OC1OCCN)CO)O)O
Canonical SMILES CACTVS 3.341 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCN
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN)CO)O)O

IUPAC InChI

InChI=1S/C10H20N2O6/c1-5(14)12-7-9(16)8(15)6(4-13)18-10(7)17-3-2-11/h6-10,13,15-16H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1

IUPAC InChI key

QCTRCKYGWQLWGS-VVULQXIFSA-N
EAG

wwPDB Information

Atom count

38 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

NAG

Defined at

2008-01-23

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned