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Details

Stereochemistry EPIMERIC
Molecular Formula C38H55N5O3
Molecular Weight 629.875
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHIR-29498

SMILES

[H][C@@]12CCC3=C(C=CC(=C3)C(C)C)[C@@]1(C)CCC[C@@]2(C)CNCC(=O)N(CCN)CC(=O)N(CC(N)=O)C4CCCC5=C4C=CC=C5

InChI

InChIKey=UCQJCJGDMWOONX-XEWALUAGSA-N
InChI=1S/C38H55N5O3/c1-26(2)28-13-15-31-29(21-28)14-16-33-37(3,17-8-18-38(31,33)4)25-41-22-35(45)42(20-19-39)24-36(46)43(23-34(40)44)32-12-7-10-27-9-5-6-11-30(27)32/h5-6,9,11,13,15,21,26,32-33,41H,7-8,10,12,14,16-20,22-25,39H2,1-4H3,(H2,40,44)/t32?,33-,37-,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H55N5O3
Molecular Weight 629.875
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:06:16 UTC 2023
Edited
by admin
on Sat Dec 16 09:06:16 UTC 2023
Record UNII
43I7U24XMF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHIR-29498
Common Name English
GLYCINAMIDE, N-(((1R,4AS,10AR)-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1,4A-DIMETHYL-7-(1-METHYLETHYL)-1-PHENANTHRENYL)METHYL)GLYCYL-N-(2-AMINOETHYL)GLYCYL-N2-(1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)-
Systematic Name English
Code System Code Type Description
CAS
236102-25-3
Created by admin on Sat Dec 16 09:06:16 UTC 2023 , Edited by admin on Sat Dec 16 09:06:16 UTC 2023
PRIMARY
FDA UNII
43I7U24XMF
Created by admin on Sat Dec 16 09:06:16 UTC 2023 , Edited by admin on Sat Dec 16 09:06:16 UTC 2023
PRIMARY
PUBCHEM
72941775
Created by admin on Sat Dec 16 09:06:16 UTC 2023 , Edited by admin on Sat Dec 16 09:06:16 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY