(Q76802667)

English

9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-ynyl]-3-N-methyl-5,6,7,12-tetrahydro-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide

group of stereoisomers with the chemical formula C₂₄H₂₂FN₅O₄

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type of chemical entity

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chemical compound

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mass

463.165582404 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₄H₂₂FN₅O₄

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canonical SMILES

CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(O)c3cc(C)on3)cc1-2

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=CC(=NO1)[C@@](C)(C#CC2=CC3=C(C=C2F)C4CC(C4)N5C3=NC(=C5C(=O)NC)C(=O)N)O

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Identifiers

InChI

InChI=1S/C24H22FN5O4/c1-11-6-18(29-34-11)24(2,33)5-4-12-9-16-15(10-17(12)25)13-7-14(8-13)30-20(23(32)27-3)19(21(26)31)28-22(16)30/h6,9-10,13-14,33H,7-8H2,1-3H3,(H2,26,31)(H,27,32)/t13?,14?,24-/m1/s1

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InChIKey

GFVXWRXUSFUWQS-OWABHCPYSA-N

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1 reference

(Q76802667)

9-fluoro-10-[(3R)-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)but-1-ynyl]-3-N-methyl-5,6,7,12-tetrahydro-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide

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