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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21N5O6
Molecular Weight 439.4213
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-3-(2-(5-((3-ethoxypyridin-2-yl)oxy)pyridin-3-yl)pyrimidine-5-carboxamido)-4-hydroxybutanoic acid

SMILES

CCOC1=CC=CN=C1OC2=CN=CC(=C2)C3=NC=C(C=N3)C(=O)N[C@H](CO)CC(O)=O

InChI

InChIKey=QPNJHRXROUWYCT-HNNXBMFYSA-N
InChI=1S/C21H21N5O6/c1-2-31-17-4-3-5-23-21(17)32-16-6-13(8-22-11-16)19-24-9-14(10-25-19)20(30)26-15(12-27)7-18(28)29/h3-6,8-11,15,27H,2,7,12H2,1H3,(H,26,30)(H,28,29)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H21N5O6
Molecular Weight 439.4213
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
322B8YY2MA
Record Status Validated (UNII)
Record Version