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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H42N4O2
Molecular Weight 454.648
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LBW-242

SMILES

CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N2CC[C@H]3CCN(CCC4=CC=CC=C4)C[C@@H]23

InChI

InChIKey=HCSMRSHIIKPNAK-LSAVBLLPSA-N
InChI=1S/C27H42N4O2/c1-20(28-2)26(32)29-25(23-11-7-4-8-12-23)27(33)31-18-15-22-14-17-30(19-24(22)31)16-13-21-9-5-3-6-10-21/h3,5-6,9-10,20,22-25,28H,4,7-8,11-19H2,1-2H3,(H,29,32)/t20-,22+,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H42N4O2
Molecular Weight 454.648
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:27:04 GMT 2025
Edited
by admin
on Mon Mar 31 23:27:04 GMT 2025
Record UNII
NG5DD6UA5D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LBW242
Preferred Name English
LBW-242
Code English
(2S)-N-((1S)-1-CYCLOHEXYL-2-((3AR,7AS)-OCTAHYDRO-6-(2-PHENYLETHYL)-1H-PYRROLO(2,3-C)PYRIDIN-1-YL)-2-OXOETHYL)-2-(METHYLAMINO)PROPANAMIDE
Systematic Name English
LBW 242 [WHO-DD]
Common Name English
PROPANAMIDE, N-((1S)-1-CYCLOHEXYL-2-((3AR,7AS)-OCTAHYDRO-6-(2-PHENYLETHYL)-1H-PYRROLO(2,3-C)PYRIDIN-1-YL)-2-OXOETHYL)-2-(METHYLAMINO)-, (2S)-
Systematic Name English
Code System Code Type Description
FDA UNII
NG5DD6UA5D
Created by admin on Mon Mar 31 23:27:04 GMT 2025 , Edited by admin on Mon Mar 31 23:27:04 GMT 2025
PRIMARY
PUBCHEM
11503417
Created by admin on Mon Mar 31 23:27:04 GMT 2025 , Edited by admin on Mon Mar 31 23:27:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID701101698
Created by admin on Mon Mar 31 23:27:04 GMT 2025 , Edited by admin on Mon Mar 31 23:27:04 GMT 2025
PRIMARY
CAS
867324-12-7
Created by admin on Mon Mar 31 23:27:04 GMT 2025 , Edited by admin on Mon Mar 31 23:27:04 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY