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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H55N6O14P
Molecular Weight 850.8489
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACT-281959

SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)NC(=O)C2=NC(=NC(=C2)N3CC[C@@H](C3)OC)C4=CC=CC=C4

InChI

InChIKey=ZDPYSJCPGHHDID-SMCANUKXSA-N
InChI=1S/C38H55N6O14P/c1-7-8-20-52-36(47)43-18-16-42(17-19-43)35(46)31(23-59(50,55-24-53-37(48)57-26(2)3)56-25-54-38(49)58-27(4)5)40-34(45)30-21-32(44-15-14-29(22-44)51-6)41-33(39-30)28-12-10-9-11-13-28/h9-13,21,26-27,29,31H,7-8,14-20,22-25H2,1-6H3,(H,40,45)/t29-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H55N6O14P
Molecular Weight 850.8489
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:02:29 UTC 2023
Edited
by admin
on Sat Dec 16 11:02:29 UTC 2023
Record UNII
F5ZX57G3S3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACT-281959
Common Name English
1-PIPERAZINECARBOXYLIC ACID, 4-((2R)-2-(((6-((3S)-3-METHOXY-1-PYRROLIDINYL)-2-PHENYL-4-PYRIMIDINYL)CARBONYL)AMINO)-10-METHYL-4-((((1-METHYLETHOXY)CARBONYL)OXY)METHOXY)-4-OXIDO-1,8-DIOXO-5,7,9-TRIOXA-4-PHOSPHAUNDEC-1-YL)-, BUTYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
F5ZX57G3S3
Created by admin on Sat Dec 16 11:02:29 UTC 2023 , Edited by admin on Sat Dec 16 11:02:29 UTC 2023
PRIMARY
PUBCHEM
42630121
Created by admin on Sat Dec 16 11:02:29 UTC 2023 , Edited by admin on Sat Dec 16 11:02:29 UTC 2023
PRIMARY
CAS
1159501-31-1
Created by admin on Sat Dec 16 11:02:29 UTC 2023 , Edited by admin on Sat Dec 16 11:02:29 UTC 2023
PRIMARY
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