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Verification code

L 694746

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Category HIV Protease
CAS 139934-80-8
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Product Information

Synonyms 139934-80-8;2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid;L 694746;L-694,746;DTXSID70930663;[4-(5-{[tert-Butoxy(hydroxy)methylidene]amino}-4-hydroxy-2-{hydroxy[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)imino]methyl}-6-phenylhexyl)phenoxy]acetic acid;Acetic acid, (4-(2-(((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)carbonyl)-5-(((1,1-dimethylethoxy)carbonyl)amino)-4-hydroxy-6-phenylhexyl)phenoxy)-, (1S-(1alpha(2S*,4R*,5R*),2alpha))-;
IUPAC Name 2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid
Molecular Weight 618.72
Molecular Formula C35H42N2O8
Canonical SMILES O=C(O)COC1=CC=C(C[C@@H](C(N[C@@H]2[C@H](O)CC3=C2C=CC=C3)=O)C[C@H](O)[C@@H](NC(OC(C)(C)C)=O)CC4=CC=CC=C4)C=C1
InChI InChI=1S/C35H42N2O8/c1-35(2,3)45-34(43)36-28(18-22-9-5-4-6-10-22)29(38)20-25(17-23-13-15-26(16-14-23)44-21-31(40)41)33(42)37-32-27-12-8-7-11-24(27)19-30(32)39/h4-16,25,28-30,32,38-39H,17-21H2,1-3H3,(H,36,43)(H,37,42)(H,40,41)/t25-,28+,29+,30?,32+/m1/s1
InChIKey YDOBPQZYAZNHNJ-KJOOGPBASA-N
Appearance Solid

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