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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H31N5O5S
Molecular Weight 561.652
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenylmethyl (3S,4R)-3-ethyl-4-[2-[[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-1-pyrrolidinecarboxylate

SMILES

CC[C@@H]1CN(C[C@@H]1C(=O)CNC2=NC3=C(N=C2)N(C=C3)S(=O)(=O)C4=CC=C(C)C=C4)C(=O)OCC5=CC=CC=C5

InChI

InChIKey=LGCPRDVUZHCELL-VWNXMTODSA-N
InChI=1S/C29H31N5O5S/c1-3-22-17-33(29(36)39-19-21-7-5-4-6-8-21)18-24(22)26(35)15-30-27-16-31-28-25(32-27)13-14-34(28)40(37,38)23-11-9-20(2)10-12-23/h4-14,16,22,24H,3,15,17-19H2,1-2H3,(H,30,32)/t22-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H31N5O5S
Molecular Weight 561.652
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:47:57 GMT 2025
Edited
by admin
on Wed Apr 02 20:47:57 GMT 2025
Record UNII
JGR64BYS67
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenylmethyl (3S,4R)-3-ethyl-4-[2-[[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-1-pyrrolidinecarboxylate
Systematic Name English
1-Pyrrolidinecarboxylic acid, 3-ethyl-4-[2-[[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-, phenylmethyl ester, (3S,4R)-
Preferred Name English
Code System Code Type Description
CAS
2270173-63-0
Created by admin on Wed Apr 02 20:47:57 GMT 2025 , Edited by admin on Wed Apr 02 20:47:57 GMT 2025
PRIMARY
PUBCHEM
159327794
Created by admin on Wed Apr 02 20:47:57 GMT 2025 , Edited by admin on Wed Apr 02 20:47:57 GMT 2025
PRIMARY
FDA UNII
JGR64BYS67
Created by admin on Wed Apr 02 20:47:57 GMT 2025 , Edited by admin on Wed Apr 02 20:47:57 GMT 2025
PRIMARY