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Substance Name: gamma-tert-Butyl aminopterin
RN: 95484-98-3
InChIKey: XNVKVOKOYAOROU-HNNXBMFYSA-N

Molecular Formula

  • C23-H28-N8-O5

Molecular Weight

  • 496.525
 
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Names and Synonyms

Name of Substance

  • gamma-tert-Butyl aminopterin

Synonym

  • gamma-Tbamt

Systematic Name

  • L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, 5-(1,1-dimethylethyl) ester

Registry Numbers

CAS Registry Number

  • 95484-98-3

System Generated Number

  • 0095484983

Structure Descriptors

InChI

1S/C23H28N8O5/c1-23(2,3)36-16(32)9-8-15(21(34)35)29-20(33)12-4-6-13(7-5-12)26-10-14-11-27-19-17(28-14)18(24)30-22(25)31-19/h4-7,11,15,26H,8-10H2,1-3H3,(H,29,33)(H,34,35)(H4,24,25,27,30,31)/t15-/m0/s1

InChIKey

XNVKVOKOYAOROU-HNNXBMFYSA-N

Smiles

n1c(c2nc(cnc2nc1N)CNc1ccc(cc1)C(N[C@@H](CCC(=O)OC(C)(C)C)C(O)=O)=O)N