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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H21N3O8
Molecular Weight 335.3104
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPARAGINE-N-ACETYL-.BETA.-D-GLUCOSAMINE CONJUGATE

SMILES

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O

InChI

InChIKey=YTTRPBWEMMPYSW-HRRFRDKFSA-N
InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H21N3O8
Molecular Weight 335.3104
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Q9ODP9B8O5
Record Status Validated (UNII)
Record Version