G4G

4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE


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Chemical Component Summary

Name4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE
Identifiers4-[[(3S,4S)-4-[(4-aminocarbonylphenyl)sulfonyl-(phenylmethyl)amino]pyrrolidin-3-yl]-(phenylmethyl)sulfamoyl]benzamide
FormulaC32 H33 N5 O6 S2
Molecular Weight647.764
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N
InChIInChI=1S/C32H33N5O6S2/c33-31(38)25-11-15-27(16-12-25)44(40,41)36(21-23-7-3-1-4-8-23)29-19-35-20-30(29)37(22-24-9-5-2-6-10-24)45(42,43)28-17-13-26(14-18-28)32(34)39/h1-18,29-30,35H,19-22H2,(H2,33,38)(H2,34,39)/t29-,30-/m0/s1
InChIKeySSQKDDJMCKLBOH-KYJUHHDHSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count2
Bond Count82
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 24764428
ChEMBL CHEMBL1188505