Ombitasvir 13C2D6

Product Name Ombitasvir 13C2D6
CAT No. CS-O-13401
CAS No. 1258226-87-7 (Unlabeled)
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Therapeutic Antiretroviral / Anti-HIV
Smileys CC(C)(C1=CC=C(N2[C@H](C3=CC=C(NC([C@H](CCC4)N4C([C@H](C(C)C)NC(O[13C]([2H])([2H])[2H])=O)=O)=O)C=C3)CC[C@H]2C5=CC=C(NC([C@H](CCC6)N6C([C@H](C(C)C)NC(O[13C]([2H])([2H])[2H])=O)=O)=O)C=C5)C=C1)C
Canonical Smiles CC(C)C(C(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)C3CCC(N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC
InchIKey PIDFDZJZLOTZTM-KHVQSSSXSA-N
Inchl InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1
IUPAC methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Controlled No
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