IZB

N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE


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Chemical Component Summary

NameN-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE
IdentifiersN-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
FormulaC27 H27 N5 O6 S2
Molecular Weight581.663
TypeNON-POLYMER
Isomeric SMILESCN1CCOc2c1ccc(c2)S(=O)(=O)N[C@@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5
InChIInChI=1S/C27H27N5O6S2/c1-32-12-13-38-24-15-19(10-11-23(24)32)39(34,35)30-22(27-28-20-4-2-3-5-21(20)29-27)14-17-6-8-18(9-7-17)25-16-26(33)31-40(25,36)37/h2-11,15,22,25,30H,12-14,16H2,1H3,(H,28,29)(H,31,33)/t22-,25-/m0/s1
InChIKeyQNAGNPUNGCBSIJ-DHLKQENFSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count2
Bond Count72
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 9549201