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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32N6O9
Molecular Weight 560.5564
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)AMINO)-4-METHOXYPHENYL

SMILES

COC1=CC(NC2=NC=NN3C=CC(CN4CC[C@@H](N)[C@H](O)C4)=C23)=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C1

InChI

InChIKey=DMWMDEZDLIPXQT-WBLXUPGQSA-N
InChI=1S/C25H32N6O9/c1-38-13-2-3-17(39-25-21(35)19(33)20(34)22(40-25)24(36)37)15(8-13)29-23-18-12(4-7-31(18)28-11-27-23)9-30-6-5-14(26)16(32)10-30/h2-4,7-8,11,14,16,19-22,25,32-35H,5-6,9-10,26H2,1H3,(H,36,37)(H,27,28,29)/t14-,16-,19+,20+,21-,22+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H32N6O9
Molecular Weight 560.5564
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8G9DF36WHB
Record Status Validated (UNII)
Record Version