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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H39N5O7S
Molecular Weight 661.768
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

CC[C@@H]1CN(C[C@@H]1C(=O)CN(C(=O)OC(C)(C)C)C2=CN=C3N(C=CC3=N2)S(=O)(=O)C4=CC=C(C)C=C4)C(=O)OCC5=CC=CC=C5

InChI

InChIKey=BFRDSFZFZQJXHN-VPUSJEBWSA-N
InChI=1S/C34H39N5O7S/c1-6-25-19-37(32(41)45-22-24-10-8-7-9-11-24)20-27(25)29(40)21-38(33(42)46-34(3,4)5)30-18-35-31-28(36-30)16-17-39(31)47(43,44)26-14-12-23(2)13-15-26/h7-18,25,27H,6,19-22H2,1-5H3/t25-,27+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Phenylmethyl (3R,4S)-3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate
Systematic Name English
1-Pyrrolidinecarboxylic acid, 3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-, phenylmethyl ester, (3R,4S)-
Preferred Name English
Code System Code Type Description
PUBCHEM
86678505
Created by admin on Wed Apr 02 20:35:52 GMT 2025 , Edited by admin on Wed Apr 02 20:35:52 GMT 2025
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EPA CompTox
DTXSID801098880
Created by admin on Wed Apr 02 20:35:52 GMT 2025 , Edited by admin on Wed Apr 02 20:35:52 GMT 2025
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FDA UNII
XAJ442MY8S
Created by admin on Wed Apr 02 20:35:52 GMT 2025 , Edited by admin on Wed Apr 02 20:35:52 GMT 2025
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CAS
1428243-27-9
Created by admin on Wed Apr 02 20:35:52 GMT 2025 , Edited by admin on Wed Apr 02 20:35:52 GMT 2025
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