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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29ClN4O6
Molecular Weight 480.942
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DESETHYL-BELNACASAN

SMILES

CC(C)(C)[C@H](NC(=O)C1=CC=C(N)C(Cl)=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(O)=O)C=O

InChI

InChIKey=SOZONDBMOYWSRW-QANKJYHBSA-N
InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29ClN4O6
Molecular Weight 480.942
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:07:41 UTC 2023
Edited
by admin
on Sat Dec 16 05:07:41 UTC 2023
Record UNII
Q257O24H4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESETHYL-BELNACASAN
Common Name English
VRT-043198
Code English
L-PROLINAMIDE, N-(4-AMINO-3-CHLOROBENZOYL)-3-METHYL-L-VALYL-N-((1S)-2-CARBOXY-1-FORMYLETHYL)-
Systematic Name English
VRT043198
Code English
Code System Code Type Description
FDA UNII
Q257O24H4J
Created by admin on Sat Dec 16 05:07:41 UTC 2023 , Edited by admin on Sat Dec 16 05:07:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID00179169
Created by admin on Sat Dec 16 05:07:41 UTC 2023 , Edited by admin on Sat Dec 16 05:07:41 UTC 2023
PRIMARY
CAS
244133-31-1
Created by admin on Sat Dec 16 05:07:41 UTC 2023 , Edited by admin on Sat Dec 16 05:07:41 UTC 2023
PRIMARY
PUBCHEM
11443029
Created by admin on Sat Dec 16 05:07:41 UTC 2023 , Edited by admin on Sat Dec 16 05:07:41 UTC 2023
PRIMARY
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