U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H42N4O3S3
Molecular Weight 494.778
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIM-46068

SMILES

CC[C@H](C)[C@@H](CN1CSC(C)(C)[C@H]1C(=O)N[C@@H](CCSC)C(=O)OC)NC[C@@H](N)CS

InChI

InChIKey=IRLFXGFBZICNNV-IGKNDFSCSA-N
InChI=1S/C21H42N4O3S3/c1-7-14(2)17(23-10-15(22)12-29)11-25-13-31-21(3,4)18(25)19(26)24-16(8-9-30-6)20(27)28-5/h14-18,23,29H,7-13,22H2,1-6H3,(H,24,26)/t14-,15+,16-,17+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H42N4O3S3
Molecular Weight 494.778
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:27:33 GMT 2023
Edited
by admin
on Sat Dec 16 09:27:33 GMT 2023
Record UNII
77RRE3Q3V1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIM-46068
Common Name English
L-METHIONINE, N-(((4R)-3-((2S,3S)-2-(((2R)-2-AMINO-3-MERCAPTOPROPYL)AMINO)-3-METHYLPENTYL)-5,5-DIMETHYL-4-THIAZOLIDINYL)CARBONYL)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
9805793
Created by admin on Sat Dec 16 09:27:33 GMT 2023 , Edited by admin on Sat Dec 16 09:27:33 GMT 2023
PRIMARY
CAS
201487-53-8
Created by admin on Sat Dec 16 09:27:33 GMT 2023 , Edited by admin on Sat Dec 16 09:27:33 GMT 2023
PRIMARY
FDA UNII
77RRE3Q3V1
Created by admin on Sat Dec 16 09:27:33 GMT 2023 , Edited by admin on Sat Dec 16 09:27:33 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY