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Substance Name: L-Alanine, N-(3'-azido-3'-deoxy-P-ethyl-5'-thymidylyl)-, methyl ester, (R)-
RN: 133201-13-5
InChIKey: VFPSGUHEGHZQNN-DCTPOCMDSA-N

Molecular Formula

  • C16-H25-N6-O8-P

Molecular Weight

  • 460.3815
 
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Names and Synonyms

Synonym

  • 5'-(O-Ethyl-N-(methoxycarbonylethyl)phosphoramidate)-3'-azido-3'-deoxythymidine

Systematic Name

  • L-Alanine, N-(3'-azido-3'-deoxy-P-ethyl-5'-thymidylyl)-, methyl ester, (R)-

Registry Numbers

CAS Registry Number

  • 133201-13-5

System Generated Number

  • 0133201135

Structure Descriptors

InChI

1S/C16H25N6O8P/c1-5-28-31(26,20-10(3)15(24)27-4)29-8-12-11(19-21-17)6-13(30-12)22-7-9(2)14(23)18-16(22)25/h7,10-13H,5-6,8H2,1-4H3,(H,20,26)(H,18,23,25)/t10-,11-,12+,13+,31?/m0/s1

InChIKey

VFPSGUHEGHZQNN-DCTPOCMDSA-N

Smiles

CCOP(=O)(N[C@@H](C)C(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)n2cc(c(=O)[nH]c2=O)C)N=[N+]=[N-]