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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H70N4O3
Molecular Weight 618.9767
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENT-03, (S)-

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CCC[C@H](C)C(O)=O

InChI

InChIKey=ILXYORNRQWAVQT-LMKIYORFSA-N
InChI=1S/C37H70N4O3/c1-26(10-7-11-27(2)35(43)44)30-12-13-31-34-32(15-17-37(30,31)4)36(3)16-14-29(24-28(36)25-33(34)42)41-23-9-22-40-20-6-5-19-39-21-8-18-38/h26-34,39-42H,5-25,38H2,1-4H3,(H,43,44)/t26-,27+,28-,29+,30-,31+,32+,33-,34+,36+,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H70N4O3
Molecular Weight 618.9767
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:53:59 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:59 GMT 2023
Record UNII
P4K8QA3BA9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENT-03, (S)-
Code English
Cholestan-26-oic acid, 3-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]-7-hydroxy-, (3β,5α,7α,25S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
168429547
Created by admin on Sat Dec 16 19:53:59 GMT 2023 , Edited by admin on Sat Dec 16 19:53:59 GMT 2023
PRIMARY
FDA UNII
P4K8QA3BA9
Created by admin on Sat Dec 16 19:53:59 GMT 2023 , Edited by admin on Sat Dec 16 19:53:59 GMT 2023
PRIMARY
Related Record Type Details
EPIMER -> DIASTEREOISOMER
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY