(βR,δS,6R)-8-Fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]benzo[h]quinazoline-6-pentanoic acid

CAS Registry Number®

854898-48-9
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CAS Name

(βR,δS,6R)-8-Fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]benzo[h]quinazoline-6-pentanoic acid

Molecular Formula

C22H28FN3O6S

Molecular Mass

481.54

Cite this Page

(βR,δS,6R)-8-Fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]benzo[h]quinazoline-6-pentanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=854898-48-9 (retrieved 2024-08-18) (CAS RN: 854898-48-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28FN3O6S/c1-11(2)20-17-10-16(18(28)8-13(27)9-19(29)30)15-7-12(23)5-6-14(15)21(17)25-22(24-20)26(3)33(4,31)32/h5-7,11,13,16,18,27-28H,8-10H2,1-4H3,(H,29,30)/t13-,16-,18+/m1/s1

InChIKey

InChIKey=FHIVIRAXRANEIW-QBIMZIAESA-N

SMILES

C(C)(C)C1=C2C(C=3C([C@]([C@H](C[C@H](CC(O)=O)O)O)(C2)[H])=CC(F)=CC3)=NC(N(S(C)(=O)=O)C)=N1

Canonical SMILES

O=C(O)CC(O)CC(O)C1C=2C=C(F)C=CC2C3=NC(=NC(=C3C1)C(C)C)N(C)S(=O)(=O)C

Other Names for this Substance

  • Benzo[h]quinazoline-6-pentanoic acid, 8-fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, (βR,δS,6R)-
  • (βR,δS,6R)-8-Fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]benzo[h]quinazoline-6-pentanoic acid