U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H19N7O5
Molecular Weight 425.3981
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[[(2-Amino-6-pteridinyl)methyl]amino]benzoyl]glutamic acid

SMILES

NC1=NC2=C(C=N1)N=C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)C=N2

InChI

InChIKey=HJQIWDIQWXNZDP-UHFFFAOYSA-N
InChI=1S/C19H19N7O5/c20-19-23-9-14-16(26-19)22-8-12(24-14)7-21-11-3-1-10(2-4-11)17(29)25-13(18(30)31)5-6-15(27)28/h1-4,8-9,13,21H,5-7H2,(H,25,29)(H,27,28)(H,30,31)(H2,20,22,23,26)

HIDE SMILES / InChI

Molecular Formula C19H19N7O5
Molecular Weight 425.3981
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:48 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:48 GMT 2023
Record UNII
F4FU3A6KLG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[4-[[(2-Amino-6-pteridinyl)methyl]amino]benzoyl]glutamic acid
Systematic Name English
Glutamic acid, N-[p-[[(2-amino-6-pteridyl)methyl]amino]benzoyl]-
Systematic Name English
Glutamic acid, N-[4-[[(2-amino-6-pteridinyl)methyl]amino]benzoyl]-
Systematic Name English
2-[[4-[(2-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Systematic Name English
Code System Code Type Description
FDA UNII
F4FU3A6KLG
Created by admin on Sat Dec 16 19:48:48 GMT 2023 , Edited by admin on Sat Dec 16 19:48:48 GMT 2023
PRIMARY
CAS
728946-34-7
Created by admin on Sat Dec 16 19:48:48 GMT 2023 , Edited by admin on Sat Dec 16 19:48:48 GMT 2023
PRIMARY
PUBCHEM
4293929
Created by admin on Sat Dec 16 19:48:48 GMT 2023 , Edited by admin on Sat Dec 16 19:48:48 GMT 2023
PRIMARY