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(S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide


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Chemical Component Summary

Name(S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Identifiers(3S)-N-tert-butyl-3-[(8-chloranyl-11-ethyl-3-fluoranyl-benzo[b][1,4]benzodiazepin-6-yl)amino]pyrrolidine-1-carboxamide
FormulaC24 H29 Cl F N5 O
Molecular Weight457.971
TypeNON-POLYMER
Isomeric SMILESCCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl
InChIInChI=1S/C24H29ClFN5O/c1-5-31-20-8-6-15(25)12-18(20)22(28-19-13-16(26)7-9-21(19)31)27-17-10-11-30(14-17)23(32)29-24(2,3)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3,(H,27,28)(H,29,32)/t17-/m0/s1
InChIKeyNIVBGOGCJSMNMG-KRWDZBQOSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count1
Bond Count64
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL3609371
PubChem 135567021, 91808046
ChEMBL CHEMBL3609371