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 C20H24N4O5S
Molecular Weight 432.493
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-750034

SMILES

OC(=O)[C@H](CNC(=O)C1=CC=C(C=C1)N2CCNCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChIKey=PXSDSRKJCWOYNE-SFHVURJKSA-N
InChI=1S/C20H24N4O5S/c25-19(15-6-8-16(9-7-15)24-12-10-21-11-13-24)22-14-18(20(26)27)23-30(28,29)17-4-2-1-3-5-17/h1-9,18,21,23H,10-14H2,(H,22,25)(H,26,27)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H24N4O5S
Molecular Weight 432.493
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
M7UBK3FJ4N
Record Status Validated (UNII)
Record Version