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NVP018

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Category Hepatitis B Virus (HBV)
CAS 1401924-49-9
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Product Information

Synonyms 1401924-49-9;
IUPAC Name (6S,9R,10R,11S,12S,13E,15E,21S)-3-[(3-fluoro-5-hydroxyphenyl)methyl]-10,12-dihydroxy-11-methyl-18-[(2E,4E)-6-(oxazinan-2-yl)-6-oxohexa-2,4-dien-2-yl]-9-(3-oxobutyl)-6-propan-2-yl-19-oxa-1,4,7,25-tetrazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone
Molecular Weight 868.00
Molecular Formula C45H62FN5O11
Canonical SMILES O=C(N1N[C@](CCC1)([H])C(O[C@@H](C/C=C/C=C/[C@@H]([C@@H]([C@H]([C@H](C(N[C@H](C(N2)=O)C(C)C)=O)CCC(C)=O)O)C)O)/C(C)=C/C=C/C(N3CCCCO3)=O)=O)[C@@H]2CC4=CC(F)=CC(O)=C4
InChI InChI=1S/C45H62FN5O11/c1-27(2)40-43(58)47-36(25-31-23-32(46)26-33(53)24-31)44(59)50-20-12-14-35(49-50)45(60)62-38(28(3)13-11-17-39(55)51-21-9-10-22-61-51)16-8-6-7-15-37(54)30(5)41(56)34(42(57)48-40)19-18-29(4)52/h6-8,11,13,15,17,23-24,26-27,30,34-38,40-41,49,53-54,56H,9-10,12,14,16,18-22,25H2,1-5H3,(H,47,58)(H,48,57)/b8-6+,15-7+,17-11+,28-13+/t30-,34+,35-,36?,37-,38?,40-,41+/m0/s1
InChIKey CFLBTKFHBBDVKC-WZIXYZRPSA-N
Appearance Solid

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