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Substance Name: 5,8-Dideazaisopteroyl triglutamate
RN: 85344-30-5
InChIKey: AQWVCRHNXTWSCY-FKBYEOEOSA-N

Molecular Weight

  • 697.654
 
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Names and Synonyms

Name of Substance

  • 5,8-Dideazaisopteroyl triglutamate

Synonym

  • Iahq-3

Systematic Name

  • L-Glutamic acid, N-(N-(N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)amino)methyl)benzoyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-

Registry Numbers

CAS Registry Number

  • 85344-30-5

System Generated Number

  • 0085344305

Structure Descriptors

InChI

1S/C31H35N7O12/c32-31-37-19-6-5-17(13-18(19)27(44)38-31)33-14-15-1-3-16(4-2-15)26(43)36-22(30(49)50)8-11-24(40)34-20(28(45)46)7-10-23(39)35-21(29(47)48)9-12-25(41)42/h1-6,13,20-22,33H,7-12,14H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H3,32,37,38,44)/t20-,21-,22-/m0/s1

InChIKey

AQWVCRHNXTWSCY-FKBYEOEOSA-N

Smiles

C([C@@H](NC(CC[C@H](NC(CC[C@H](NC(c1ccc(cc1)CNc1cc2c(nc([nH]c2cc1)N)=O)=O)C(=O)O)=O)C(=O)O)=O)CCC(=O)O)(=O)O