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Substance Name: 2-((2-Aminoethylamino)carbonylethylphenylethylamino)-5'-N-ethylcarboxamidoadenosine
RN: 126828-50-0
InChIKey: UXUFTKZYJYGMGO-CMCWBKRRSA-N

Molecular Formula

  • C25-H35-N9-O5

Molecular Weight

  • 541.6095
 
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Names and Synonyms

Name of Substance

  • 2-((2-Aminoethylamino)carbonylethylphenylethylamino)-5'-N-ethylcarboxamidoadenosine

Synonym

  • Apec-2

Systematic Name

  • beta-D-Ribofuranuronamide, 1-(6-amino-2-((2-(4-(3-((2-aminoethyl)amino)-3-oxopropyl)phenyl)ethyl)amino)-9H-purin-9-yl)-1-deoxy-N-ethyl-

Registry Numbers

CAS Registry Number

  • 126828-50-0

System Generated Number

  • 0126828500

Structure Descriptors

InChI

1S/C25H35N9O5/c1-2-28-23(38)20-18(36)19(37)24(39-20)34-13-31-17-21(27)32-25(33-22(17)34)30-11-9-15-5-3-14(4-6-15)7-8-16(35)29-12-10-26/h3-6,13,18-20,24,36-37H,2,7-12,26H2,1H3,(H,28,38)(H,29,35)(H3,27,30,32,33)/t18-,19+,20-,24+/m0/s1

InChIKey

UXUFTKZYJYGMGO-CMCWBKRRSA-N

Smiles

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)NCCN)O)O