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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H55FN9O6P.C6H14N4O2
Molecular Weight 1090.1908
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Aleniglipron arginine

SMILES

N[C@@H](CCCNC(N)=N)C(O)=O.CCP(=O)(CC)C1=CC=C(C=C1NC)N2C=CN(C2=O)C3=C4[C@H](C)N(CCC4=NN3C5=CC(C)=C(F)C(C)=C5)C(=O)C6=CC7=C(C=CC(=C7)C8CCOCC8)N6[C@]9(C[C@@H]9C)C%10=NOC(=O)N%10

InChI

InChIKey=ATTYLCVNJVFXOC-AIQFJLMWSA-N
InChI=1S/C49H55FN9O6P.C6H14N4O2/c1-8-66(63,9-2)41-13-11-35(26-38(41)51-7)56-18-19-57(48(56)62)44-42-31(6)55(17-14-37(42)53-59(44)36-22-28(3)43(50)29(4)23-36)45(60)40-25-34-24-33(32-15-20-64-21-16-32)10-12-39(34)58(40)49(27-30(49)5)46-52-47(61)65-54-46;7-4(5(11)12)2-1-3-10-6(8)9/h10-13,18-19,22-26,30-32,51H,8-9,14-17,20-21,27H2,1-7H3,(H,52,54,61);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t30-,31-,49-;4-/m00/s1

HIDE SMILES / InChI

Molecular Formula C49H55FN9O6P
Molecular Weight 915.9899
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H14N4O2
Molecular Weight 174.201
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 15:16:08 GMT 2025
Edited
by admin
on Wed Apr 02 15:16:08 GMT 2025
Record UNII
78THL9WXV7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(1S,2S)-1-[2-[[(4S)-3-[3-[4-(Diethylphosphinyl)-3-(methylamino)phenyl]-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-(tetrahydro-2H-pyran-4-yl)-1H-indol-1-yl]
Preferred Name English
Aleniglipron arginine
Common Name English
Code System Code Type Description
CAS
3044052-98-1
Created by admin on Wed Apr 02 15:16:08 GMT 2025 , Edited by admin on Wed Apr 02 15:16:08 GMT 2025
PRIMARY
SMS_ID
300000054768
Created by admin on Wed Apr 02 15:16:08 GMT 2025 , Edited by admin on Wed Apr 02 15:16:08 GMT 2025
PRIMARY
FDA UNII
78THL9WXV7
Created by admin on Wed Apr 02 15:16:08 GMT 2025 , Edited by admin on Wed Apr 02 15:16:08 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY