MZ3

N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE


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Chemical Component Summary

NameN-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE
Identifiers3-fluoro-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenyl-butan-2-yl]-2-methyl-benzamide
FormulaC30 H31 F N2 O5 S2
Molecular Weight582.706
TypeNON-POLYMER
Isomeric SMILESCc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O
InChIInChI=1S/C30H31FN2O5S2/c1-21-26(14-7-15-27(21)31)30(35)32-28(17-22-9-4-3-5-10-22)29(34)20-33(19-24-12-8-16-39-24)40(36,37)25-13-6-11-23(18-25)38-2/h3-16,18,28-29,34H,17,19-20H2,1-2H3,(H,32,35)/t28-,29+/m0/s1
InChIKeyAXUYLLZCOSCKTG-URLMMPGGSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count2
Bond Count74
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 15947390
ChEMBL CHEMBL475279