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Substance Name: Dihydropteroyl hexaglutamate
RN: 49637-65-2
InChIKey: VAFWKCXKYMXFRJ-QCOJBMJGSA-N

Molecular Weight

  • 1088.99
 
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Names and Synonyms

Name of Substance

  • Dihydropteroyl hexaglutamate

Systematic Name

  • L-Glutamic acid, N-(N-(N-(N-(N-(N-(4-(((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-L-gamma-glutamyl)-

Registry Numbers

CAS Registry Number

  • 49637-65-2

System Generated Number

  • 0049637652

Structure Descriptors

InChI

1S/C44H56N12O21/c45-44-55-35-34(37(65)56-44)48-21(18-47-35)17-46-20-3-1-19(2-4-20)36(64)54-27(43(76)77)9-15-32(61)52-25(41(72)73)7-13-30(59)50-23(39(68)69)5-11-28(57)49-22(38(66)67)6-12-29(58)51-24(40(70)71)8-14-31(60)53-26(42(74)75)10-16-33(62)63/h1-4,22-27,46H,5-18H2,(H,49,57)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,64)(H,62,63)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H4,45,47,55,56,65)/t22-,23-,24-,25-,26-,27-/m0/s1

InChIKey

VAFWKCXKYMXFRJ-QCOJBMJGSA-N

Smiles

C([C@@H](NC(CC[C@H](NC(CC[C@H](NC(CC[C@H](NC(CC[C@H](NC(CC[C@H](NC(c1ccc(cc1)NCC1=Nc2c(nc([nH]c2NC1)N)=O)=O)C(=O)O)=O)C(=O)O)=O)C(=O)O)=O)C(=O)O)=O)C(=O)O)=O)CCC(=O)O)(=O)O