U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32N4O6
Molecular Weight 472.5341
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-00835231

SMILES

COC1=C2C=C(NC2=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CO

InChI

InChIKey=QDIMHKWNHMVDJB-WBAXXEDZSA-N
InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H32N4O6
Molecular Weight 472.5341
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:23:18 GMT 2023
Edited
by admin
on Sat Dec 16 16:23:18 GMT 2023
Record UNII
B5R5IQ1D64
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-00835231
Code English
(3S)-3-((N-((4-METHOXY-1H-INDOL-2-YL)CARBONYL)-L-LEUCYL)AMINO)-2-OXO-4-((3S)-2-OXOPYRROLIDIN-3-YL)BUTANOL
Systematic Name English
PF-835231
Code English
1H-INDOLE-2-CARBOXAMIDE, N-((1S)-1-((((1S)-3-HYDROXY-2-OXO-1-(((3S)-2-OXO-3-PYRROLIDINYL)METHYL)PROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)-4-METHOXY-
Systematic Name English
(S)-3-((S)-2-(4-METHOXY-1H-INDOLE-2-CARBOXAMIDO)-4-METHYLPENTANAMIDO)-2-OXO-4-((S)-2-OXOPYRROLIDIN-3-YL)BUTANOL
Systematic Name English
(3S)-3-(((2S)-2-((4-METHOXY-1H-INDOLE-2-CARBONYL)AMINO)-4-METHYLPENTANOYL)AMINO)-2-OXO-4-((3S)-2-OXOPYRROLIDIN-3-YL)BUTANOL
Systematic Name English
Code System Code Type Description
SMS_ID
300000020711
Created by admin on Sat Dec 16 16:23:18 GMT 2023 , Edited by admin on Sat Dec 16 16:23:18 GMT 2023
PRIMARY
CAS
870153-29-0
Created by admin on Sat Dec 16 16:23:18 GMT 2023 , Edited by admin on Sat Dec 16 16:23:18 GMT 2023
PRIMARY
FDA UNII
B5R5IQ1D64
Created by admin on Sat Dec 16 16:23:18 GMT 2023 , Edited by admin on Sat Dec 16 16:23:18 GMT 2023
PRIMARY
PUBCHEM
11561899
Created by admin on Sat Dec 16 16:23:18 GMT 2023 , Edited by admin on Sat Dec 16 16:23:18 GMT 2023
PRIMARY
CHEBI
172918
Created by admin on Sat Dec 16 16:23:18 GMT 2023 , Edited by admin on Sat Dec 16 16:23:18 GMT 2023
PRIMARY
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TARGET -> INHIBITOR
IC50
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