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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H53ClN4O4
Molecular Weight 629.273
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bivamelagon

SMILES

[H][C@@]1(C[C@H](N(C1)C(=O)[C@@H]2CN(C[C@H]2C3=CC=C(Cl)C=C3)C(C)(C)C)C(=O)N4CCOCC4)N([C@@H]5CC[C@H](C)CC5)C(=O)C(C)C

InChI

InChIKey=QLOCFNAGHBVTJD-VYADMOTASA-N
InChI=1S/C35H53ClN4O4/c1-23(2)32(41)40(27-13-7-24(3)8-14-27)28-19-31(34(43)37-15-17-44-18-16-37)39(20-28)33(42)30-22-38(35(4,5)6)21-29(30)25-9-11-26(36)12-10-25/h9-12,23-24,27-31H,7-8,13-22H2,1-6H3/t24-,27+,28-,29-,30+,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H53ClN4O4
Molecular Weight 629.273
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:39:22 GMT 2023
Edited
by admin
on Sat Dec 16 15:39:22 GMT 2023
Record UNII
NO1Y8WRA8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bivamelagon
INN  
Official Name English
bivamelagon [INN]
Common Name English
N-{(3S,5S)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl}-2-methyl-N-[(1s,4s)-4-methylcyclohexyl]propanamide
Systematic Name English
Code System Code Type Description
INN
12717
Created by admin on Sat Dec 16 15:39:22 GMT 2023 , Edited by admin on Sat Dec 16 15:39:22 GMT 2023
PRIMARY
CAS
2641595-54-0
Created by admin on Sat Dec 16 15:39:22 GMT 2023 , Edited by admin on Sat Dec 16 15:39:22 GMT 2023
PRIMARY
FDA UNII
NO1Y8WRA8N
Created by admin on Sat Dec 16 15:39:22 GMT 2023 , Edited by admin on Sat Dec 16 15:39:22 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY