XA8

(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide


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Chemical Component Summary

Name(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Identifiers(1~{R},2~{S},5~{S})-~{N}-[(2~{S},3~{R})-4-(azetidin-1-yl)-3-oxidanyl-4-oxidanylidene-1-(2-oxidanylidenepiperidin-1-yl)butan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
FormulaC28 H42 F3 N5 O6
Molecular Weight601.658
TypeNON-POLYMER
Isomeric SMILESCC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](CN3CCCCC3=O)[C@H](C(=O)N4CCC4)O)C
InChIInChI=1S/C28H42F3N5O6/c1-26(2,3)21(33-25(42)28(29,30)31)24(41)36-13-15-18(27(15,4)5)19(36)22(39)32-16(14-35-10-7-6-9-17(35)37)20(38)23(40)34-11-8-12-34/h15-16,18-21,38H,6-14H2,1-5H3,(H,32,39)(H,33,42)/t15-,16-,18-,19-,20+,21+/m0/s1
InChIKeyCEVFDXICNWCNKE-NLNBCDFGSA-N

Chemical Details

Formal Charge0
Atom Count84
Chiral Atom Count6
Bond Count87
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 168654901