PDDF

CAS Registry Number®

76849-19-9
No image available.

CAS Name

PDDF

Molecular Formula

C24H23N5O6

Molecular Mass

477.47

Cite this Page

PDDF.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76849-19-9 (retrieved 2024-09-19) (CAS RN: 76849-19-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)/t19-/m0/s1

InChIKey

InChIKey=LTKHPMDRMUCUEB-IBGZPJMESA-N

SMILES

O=C1C=2C(=CC=C(CN(CC#C)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)C2)NC(N)=N1

Canonical SMILES

O=C1N=C(N)NC2=CC=C(C=C12)CN(C3=CC=C(C=C3)C(=O)NC(C(=O)O)CCC(=O)O)CC#C

Other Names for this Substance

  • L-Glutamic acid, N-[4-[[(2-amino-3,4-dihydro-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]benzoyl]-
  • L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]benzoyl]-
  • N-[4-[[(2-Amino-3,4-dihydro-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]benzoyl]-L-glutamic acid
  • CB 3717
  • 10-Propargyl-5,8-dideazafolic acid

View All

Deleted or Replaced CAS Registry Numbers

125362-12-1, 866772-82-9