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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N4O8S2
Molecular Weight 542.626
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KBP-3331

SMILES

[H][C@]([C@@H](C)O)(C(O)=O)[C@]1([H])NC(C(O)=O)=C(S[C@@H]2CN[C@@H](C2)C(=O)NCC3=CC=C(C=C3)S(N)(=O)=O)[C@@H]1C

InChI

InChIKey=WTSYXROIHMMFRH-PDCLSYJBSA-N
InChI=1S/C22H30N4O8S2/c1-10-17(16(11(2)27)21(29)30)26-18(22(31)32)19(10)35-13-7-15(24-9-13)20(28)25-8-12-3-5-14(6-4-12)36(23,33)34/h3-6,10-11,13,15-17,24,26-27H,7-9H2,1-2H3,(H,25,28)(H,29,30)(H,31,32)(H2,23,33,34)/t10-,11-,13+,15+,16-,17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
KBP-3331
Code English
Code System Code Type Description
PUBCHEM
89459912
Created by admin on Sat Dec 16 19:12:20 GMT 2023 , Edited by admin on Sat Dec 16 19:12:20 GMT 2023
PRIMARY
FDA UNII
T293Q7GJ7A
Created by admin on Sat Dec 16 19:12:20 GMT 2023 , Edited by admin on Sat Dec 16 19:12:20 GMT 2023
PRIMARY