U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30N4O4S2
Molecular Weight 550.692
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of C,C?-Bis(5-thiazolylmethyl) N,N?-[(1R,4R)-1,4-bis(phenylmethyl)-1,4-butanediyl]bis[carbamate]

SMILES

O=C(N[C@H](CC[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CS2)CC3=CC=CC=C3)OCC4=CN=CS4

InChI

InChIKey=ZCOYISSPYCHCMQ-DNQXCXABSA-N
InChI=1S/C28H30N4O4S2/c33-27(35-17-25-15-29-19-37-25)31-23(13-21-7-3-1-4-8-21)11-12-24(14-22-9-5-2-6-10-22)32-28(34)36-18-26-16-30-20-38-26/h1-10,15-16,19-20,23-24H,11-14,17-18H2,(H,31,33)(H,32,34)/t23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H30N4O4S2
Molecular Weight 550.692
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:55:15 GMT 2025
Edited
by admin
on Wed Apr 02 06:55:15 GMT 2025
Record UNII
LUL9J64J2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Carbamic acid, N,N?-[(1R,4R)-1,4-bis(phenylmethyl)-1,4-butanediyl]bis-, C,C?-bis(5-thiazolylmethyl) ester
Preferred Name English
C,C?-Bis(5-thiazolylmethyl) N,N?-[(1R,4R)-1,4-bis(phenylmethyl)-1,4-butanediyl]bis[carbamate]
Systematic Name English
Code System Code Type Description
PUBCHEM
59721258
Created by admin on Wed Apr 02 06:55:15 GMT 2025 , Edited by admin on Wed Apr 02 06:55:15 GMT 2025
PRIMARY
FDA UNII
LUL9J64J2N
Created by admin on Wed Apr 02 06:55:15 GMT 2025 , Edited by admin on Wed Apr 02 06:55:15 GMT 2025
PRIMARY
CAS
1004316-56-6
Created by admin on Wed Apr 02 06:55:15 GMT 2025 , Edited by admin on Wed Apr 02 06:55:15 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY