MZ8

N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE


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Chemical Component Summary

NameN-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE
IdentifiersN-[(2S,3R)-4-(1,3-benzothiazol-6-ylsulfonyl-(2-methylpropyl)amino)-3-hydroxy-1-phenyl-butan-2-yl]-3-hydroxy-benzamide
FormulaC28 H31 N3 O5 S2
Molecular Weight553.693
TypeNON-POLYMER
Isomeric SMILESCC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4
InChIInChI=1S/C28H31N3O5S2/c1-19(2)16-31(38(35,36)23-11-12-24-27(15-23)37-18-29-24)17-26(33)25(13-20-7-4-3-5-8-20)30-28(34)21-9-6-10-22(32)14-21/h3-12,14-15,18-19,25-26,32-33H,13,16-17H2,1-2H3,(H,30,34)/t25-,26+/m0/s1
InChIKeyMQZZULHKSPXDHA-IZZNHLLZSA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count2
Bond Count72
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 11984568
ChEMBL CHEMBL457783