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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31N7O5
Molecular Weight 497.5468
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EX-1314 FREE BASE

SMILES

CN(CC(N)=O)C(=O)OCC1=CC=CC2=NN=C([C@@H](COCC3=CC=CC=C3)NC(=O)C(C)(C)N)N12

InChI

InChIKey=HXOYZOFSGAXBOH-GOSISDBHSA-N
InChI=1S/C24H31N7O5/c1-24(2,26)22(33)27-18(15-35-13-16-8-5-4-6-9-16)21-29-28-20-11-7-10-17(31(20)21)14-36-23(34)30(3)12-19(25)32/h4-11,18H,12-15,26H2,1-3H3,(H2,25,32)(H,27,33)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31N7O5
Molecular Weight 497.5468
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:03:22 UTC 2023
Edited
by admin
on Sat Dec 16 11:03:22 UTC 2023
Record UNII
C71JJ2J45G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EX-1314 FREE BASE
Common Name English
CARBAMIC ACID, (2-AMINO-2-OXOETHYL)METHYL-, (3-((1S)-1-((2-AMINO-2-METHYL-1-OXOPROPYL)AMINO)-2-(PHENYLMETHOXY)ETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRIDIN-5-YL)METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
C71JJ2J45G
Created by admin on Sat Dec 16 11:03:22 UTC 2023 , Edited by admin on Sat Dec 16 11:03:22 UTC 2023
PRIMARY
CAS
760944-56-7
Created by admin on Sat Dec 16 11:03:22 UTC 2023 , Edited by admin on Sat Dec 16 11:03:22 UTC 2023
PRIMARY
PUBCHEM
24882668
Created by admin on Sat Dec 16 11:03:22 UTC 2023 , Edited by admin on Sat Dec 16 11:03:22 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY