MK-6169

Category	HCV Protease
CAS	1620479-63-1

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Synonyms	1620479-63-1;SCHEMBL15898050;AKOS040746121;MK-6169;Methyl ((S)-2-((S)-2-(5-((S)-6-(5-cyclopropylthiophen-2-yl)-1-fluoro-3-(2-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-6H-benzo[5,6][1,3]oxazino[3,4-a]indol-10-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-1-((R)-2,2-dimethyltetrahydro-2H-;
IUPAC Name	methyl N-[(2S)-1-[(2S)-2-[5-[6-(5-cyclopropylthiophen-2-yl)-10-[2-[(2S)-1-[2-(2,2-dimethyloxan-4-yl)-2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-fluoro-6H-indolo[1,2-c][1,3]benzoxazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Molecular Weight	1016.19
Molecular Formula	C54H62FN9O8S
Canonical SMILES	O=C(OC)N[C@@H]([C@H]1CC(C)(C)OCC1)C(N2[C@H](C3=NC=C(C4=CC5=C(N6[C@H](C7=CC=C(C8CC8)S7)OC9=CC(C%10=CN=C([C@H]%11N(C([C@H](NC(OC)=O)C(C)C)=O)CCC%11)N%10)=CC(F)=C9C6=C5)C=C4)N3)CCC2)=O
InChI	InChI=1S/C54H62FN9O8S/c1-28(2)45(60-52(67)69-5)49(65)62-18-7-9-38(62)48-57-27-36(59-48)32-22-34(55)44-40-23-33-21-30(13-14-37(33)64(40)51(72-41(44)24-32)43-16-15-42(73-43)29-11-12-29)35-26-56-47(58-35)39-10-8-19-63(39)50(66)46(61-53(68)70-6)31-17-20-71-54(3,4)25-31/h13-16,21-24,26-29,31,38-39,45-46,51H,7-12,17-20,25H2,1-6H3,(H,56,58)(H,57,59)(H,60,67)(H,61,68)/t31?,38-,39-,45-,46?,51?/m0/s1
InChIKey	YUFPCGICBPQXOJ-JUFMZOARSA-N
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.