916

N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide


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Chemical Component Summary

NameN-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
IdentifiersN-[(2S,3R)-4-[[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydrothieno[2,3-b]pyran-4-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]ethanamide
FormulaC26 H38 N2 O3 S
Molecular Weight458.657
TypeNON-POLYMER
Isomeric SMILESCC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O
InChIInChI=1S/C26H38N2O3S/c1-17(29)28-21(12-18-10-8-7-9-11-18)23(30)16-27-22-15-26(5,6)31-24-20(22)13-19(32-24)14-25(2,3)4/h7-11,13,21-23,27,30H,12,14-16H2,1-6H3,(H,28,29)/t21-,22-,23+/m0/s1
InChIKeyYLIBYDKWVPKMKX-RJGXRXQPSA-N

Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count3
Bond Count72
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 72200932