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Substance Name: Asafan
RN: 10065-57-3
InChIKey: SPTPIOQJNAVKCR-UHFFFAOYSA-N

Molecular Formula

  • C26-H33-Cl2-N3-O4

Molecular Weight

  • 522.47
 
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Names and Synonyms

Results Name

  • Asafan

Synonyms

  • Asafan
  • Asaphan
  • Ethyl ester of N-acetyl-DL-sarcolysyl-L-phenylalanine

Systematic Names

  • Alanine, N-(N-acetyl-3-(p-(bis(2-chloroethyl)amino)phenyl)alanyl)-3-phenyl-, ethyl ester
  • L-Phenylalanine, N-(N-acetyl-4-(bis(2-chloroethyl)amino)-L-phenylalanyl)-, ethyl ester (9CI)

Registry Numbers

CAS Registry Number

  • 10065-57-3

Other Registry Number

  • 3733-45-7

System Generated Number

  • 0010065573

Structure Descriptors

InChI

1S/C26H33Cl2N3O4/c1-3-35-26(34)24(18-20-7-5-4-6-8-20)30-25(33)23(29-19(2)32)17-21-9-11-22(12-10-21)31(15-13-27)16-14-28/h4-12,23-24H,3,13-18H2,1-2H3,(H,29,32)(H,30,33)

InChIKey

SPTPIOQJNAVKCR-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)ccc(C[C@@H](C(N[C@@H](Cc2ccccc2)C(OCC)=O)=O)NC(C)=O)cc1