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Substance Name: Ass 52
RN: 150747-53-8
InChIKey: FTKJTBHBOQHLOW-UHFFFAOYSA-N

Molecular Formula

  • C43-H60-N8-O8-S2

Molecular Weight

  • 881.127
 
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Names and Synonyms

Name of Substance

  • Ass 52

Synonym

  • Ass-52

Systematic Name

  • L-Cysteinamide, N-((1-mercaptocyclohexyl)acetyl)-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxyethyl)-, cyclic (1-5)-disulfide

Registry Numbers

CAS Registry Number

  • 150747-53-8

System Generated Number

  • 0150747538

Structure Descriptors

InChI

1S/C43H60N8O8S2/c1-27(53)37-42(59)50-35(38(55)45-20-21-52)26-60-61-43(17-9-3-10-18-43)24-36(54)47-33(22-28-12-4-2-5-13-28)40(57)49-34(23-29-25-46-31-15-7-6-14-30(29)31)41(58)48-32(39(56)51-37)16-8-11-19-44/h2,4-7,12-15,25,27,32-35,37,46,52-53H,3,8-11,16-24,26,44H2,1H3,(H,45,55)(H,47,54)(H,48,58)(H,49,57)(H,50,59)(H,51,56)

InChIKey

FTKJTBHBOQHLOW-UHFFFAOYSA-N

Smiles

c1(C[C@@H]2C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(=O)NCCO)CSSC3(CC(=O)N2)CCCCC3)=O)[C@@H](O)C)=O)CCCCN)=O)Cc2c[nH]c3ccccc23)=O)ccccc1