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

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H63N5O8
Molecular Weight 717.9355
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-06463377

SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)OC)N(C)C(=O)[C@@H](NC(=O)C(C)(C)NC)C(C)C

InChI

InChIKey=ZNENPPNSQVNMCG-BZXSYZDRSA-N
InChI=1S/C38H63N5O8/c1-12-24(4)32(42(9)35(46)31(23(2)3)41-37(49)38(6,7)39-8)29(50-10)22-30(44)43-20-16-19-28(43)33(51-11)25(5)34(45)40-27(36(47)48)21-26-17-14-13-15-18-26/h13-15,17-18,23-25,27-29,31-33,39H,12,16,19-22H2,1-11H3,(H,40,45)(H,41,49)(H,47,48)/t24-,25+,27-,28-,29+,31-,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H63N5O8
Molecular Weight 717.9355
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:39:22 GMT 2023
Edited
by admin
on Sat Dec 16 15:39:22 GMT 2023
Record UNII
584R4AG92D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-06463377
Code English
N,2-DIMETHYLALANYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.-METHYL-2-PYRROLIDINEPROPANOYL-L-PHENYLALANINE
Systematic Name English
N,2-DIMETHYLALANYL-N-((1S,2R)-4-((2S)-2-((1R,2R)-3-(((1S)-1-CARBOXY-2-PHENYLETHYL)AMINO)-1-METHOXY-2-METHYL-3-OXOPROPYL)PYRROLIDIN-1-YL)-2-METHOXY-1-((1S)-1-METHYLPROPYL)-4-OXOBUTYL)-N-METHYL-L-VALINAMIDE
Systematic Name English
L-PHENYLALANINE, N,2-DIMETHYLALANYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.-METHYL-2-PYRROLIDINEPROPANOYL-
Systematic Name English
Code System Code Type Description
FDA UNII
584R4AG92D
Created by admin on Sat Dec 16 15:39:23 GMT 2023 , Edited by admin on Sat Dec 16 15:39:23 GMT 2023
PRIMARY
PUBCHEM
86685779
Created by admin on Sat Dec 16 15:39:23 GMT 2023 , Edited by admin on Sat Dec 16 15:39:23 GMT 2023
PRIMARY
CAS
1438848-81-7
Created by admin on Sat Dec 16 15:39:23 GMT 2023 , Edited by admin on Sat Dec 16 15:39:23 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
DERIVATIVE -> PARENT
DERIVATIVE -> PARENT