(2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid

CAS Registry Number®

139987-54-5
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CAS Name

(2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid

Molecular Formula

C27H24N4O6

Molecular Mass

500.50

Cite this Page

(2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=139987-54-5 (retrieved 2024-05-03) (CAS RN: 139987-54-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1

InChIKey

InChIKey=BRVFNEZMTRVUGW-QFIPXVFZSA-N

SMILES

O=C1C2=C3C(=CC=C2NC(C)=N1)C=CC(CNC=4C=C5C(=CC4)C(=O)N([C@@H](CCC(O)=O)C(O)=O)C5)=C3

Canonical SMILES

O=C1N=C(NC=2C=CC3=CC=C(C=C3C12)CNC4=CC=C5C(=O)N(CC5=C4)C(C(=O)O)CCC(=O)O)C

Other Names for this Substance

  • Pentanedioic acid, 2-[5-[[(1,2-dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-, (2S)-
  • Pentanedioic acid, 2-[5-[[(1,2-dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-, (S)-
  • Benzo[f]quinazoline, pentanedioic acid deriv.
  • (2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid
  • 1843U89

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Deleted or Replaced CAS Registry Numbers

206203-16-9, 206451-94-7

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