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Details

Stereochemistry EPIMERIC
Molecular Formula C17H25N5O5
Molecular Weight 379.4109
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXY-4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID

SMILES

[H][C@@]12CC[C@H](CNC(=O)CC(O)C(O)=O)CN1CCN(C2)C3=NC=C(O)C=N3

InChI

InChIKey=WNULYASBKCXEMC-RJTITELWSA-N
InChI=1S/C17H25N5O5/c23-13-7-19-17(20-8-13)22-4-3-21-9-11(1-2-12(21)10-22)6-18-15(25)5-14(24)16(26)27/h7-8,11-12,14,23-24H,1-6,9-10H2,(H,18,25)(H,26,27)/t11-,12+,14?/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H25N5O5
Molecular Weight 379.4109
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:52:40 UTC 2023
Edited
by admin
on Sat Dec 16 16:52:40 UTC 2023
Record UNII
LZ3ZAY2H1E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXY-4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 2-HYDROXY-4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXO-
Systematic Name English
CP-93,393 METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
154731639
Created by admin on Sat Dec 16 16:52:40 UTC 2023 , Edited by admin on Sat Dec 16 16:52:40 UTC 2023
PRIMARY
CAS
208924-54-3
Created by admin on Sat Dec 16 16:52:40 UTC 2023 , Edited by admin on Sat Dec 16 16:52:40 UTC 2023
PRIMARY
FDA UNII
LZ3ZAY2H1E
Created by admin on Sat Dec 16 16:52:40 UTC 2023 , Edited by admin on Sat Dec 16 16:52:40 UTC 2023
PRIMARY
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