CN4

N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide


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Chemical Component Summary

NameN-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
Identifiers~{N}-[2-[2-[(6~{R},9~{S})-2,2-bis(oxidanylidene)-2$l^{6}-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]-3-fluoranyl-phenyl]-3,3-bis(4-fluorophenyl)propanamide
FormulaC30 H32 F3 N3 O3 S
Molecular Weight571.654
TypeNON-POLYMER
Isomeric SMILESc1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F
InChIInChI=1S/C30H32F3N3O3S/c31-22-10-6-20(7-11-22)27(21-8-12-23(32)13-9-21)17-30(37)35-29-5-1-4-28(33)26(29)15-14-25-18-34-24-3-2-16-40(38,39)36(25)19-24/h1,4-13,24-25,27,34H,2-3,14-19H2,(H,35,37)/t24-,25+/m1/s1
InChIKeyAXPVBKYLWIKBKW-RPBOFIJWSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count3
Bond Count76
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 131953500
ChEMBL CHEMBL4166074