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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H25N3O4S
Molecular Weight 343.442
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BB-511

SMILES

[H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](N=CN2CCCCCC2)C(O)=O

InChI

InChIKey=PVZRJQMKHVDKBS-ZFAGHGMXSA-N
InChI=1S/C15H25N3O4S/c1-15(2)11(14(21)22)17-12(23-15)10(13(19)20)16-9-18-7-5-3-4-6-8-18/h9-12,17H,3-8H2,1-2H3,(H,19,20)(H,21,22)/b16-9+/t10-,11-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H25N3O4S
Molecular Weight 343.442
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:46:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:46:28 GMT 2023
Record UNII
3KFD9QYU5B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BB-511
Common Name English
2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-.ALPHA.-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-5,5-DIMETHYL-, (2R-(2.ALPHA.(R*),4.BETA.))-
Common Name English
EBS 783
Code English
(2R,4S)-2-((R)-((AZEPAN-1-YLMETHYLENE)AMINO)(CARBOXY)METHYL)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
Systematic Name English
2-THIAZOLIDINEACETIC ACID, 4-CARBOXY-.ALPHA.-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-5,5-DIMETHYL-, (.ALPHA.R,2R,4S)-
Common Name English
Code System Code Type Description
PUBCHEM
156596421
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
PRIMARY
CAS
64527-05-5
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
PRIMARY
FDA UNII
3KFD9QYU5B
Created by admin on Sat Dec 16 10:46:28 GMT 2023 , Edited by admin on Sat Dec 16 10:46:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE