KQD

(3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}



Chemical Component Summary

Name(3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}
SynonymsDiprovocim
Identifiers(3~{S},4~{S})-1-[4-[(3~{S},4~{S})-3,4-bis[[(1~{S},2~{R})-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]carbonylphenyl]carbonyl-~{N}3,~{N}4-bis[(1~{S},2~{R})-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
FormulaC56 H56 N6 O6
Molecular Weight909.08
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1
InChIKeyABZBNXFGYUSVCJ-UYMKNZQYSA-N

Chemical Details

Formal Charge0
Atom Count124
Chiral Atom Count12
Bond Count134
Aromatic Bond Count30

Related Resource References

Resource NameReference
PubChem 137553173