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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

C[C@@H](O)[C@H]([C@@H]1NC(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)C(O)=O

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

Molecular Formula C22H30N4O8S2
Molecular Weight 542.626
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:02:02 GMT 2025
Edited
by admin
on Wed Apr 02 14:02:02 GMT 2025
Record UNII
T293Q7GJ7A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KBP-3331
Preferred Name English
Code System Code Type Description
PUBCHEM
89459912
Created by admin on Wed Apr 02 14:02:02 GMT 2025 , Edited by admin on Wed Apr 02 14:02:02 GMT 2025
PRIMARY
FDA UNII
T293Q7GJ7A
Created by admin on Wed Apr 02 14:02:02 GMT 2025 , Edited by admin on Wed Apr 02 14:02:02 GMT 2025
PRIMARY
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