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Substance Name: 85548e
RN: 124020-62-8
InChIKey: BURQLNQHSQGPEJ-OGMXQXBRSA-N

Molecular Formula

  • C40-H73-N9-O12

Molecular Weight

  • 872.068
 
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Names and Synonyms

Name of Substance

  • 85548e

Synonyms

  • U 85548e
  • U-85548e
  • U85548e
  • Val-ser-gln-asn-leu-CH(OH)CH2-val-ile-val
  • Valyl-seryl-glutaminyl-asparaginyl-leucyl-hydroxyethyl-valyl-isoleucyl-valine

Systematic Name

  • L-Valine, N-(N-(4-hydroxy-7-methyl-2-(1-methylethyl)-1-oxo-5-((N2-(N2-(N-L-valyl-L-seryl)-L-glutaminyl)-L-asparaginyl)amino)octyl)-L-isoleucyl)-, (2S-(2R*,4R*,5R*))-

Registry Numbers

CAS Registry Number

  • 124020-62-8

System Generated Number

  • 0124020628

Structure Descriptors

InChI

1S/C40H73N9O12/c1-11-22(10)33(39(59)48-32(21(8)9)40(60)61)49-34(54)23(19(4)5)15-28(51)25(14-18(2)3)45-36(56)26(16-30(42)53)46-35(55)24(12-13-29(41)52)44-37(57)27(17-50)47-38(58)31(43)20(6)7/h18-28,31-33,50-51H,11-17,43H2,1-10H3,(H2,41,52)(H2,42,53)(H,44,57)(H,45,56)(H,46,55)(H,47,58)(H,48,59)(H,49,54)(H,60,61)/t22-,23?,24-,25-,26-,27-,28-,31-,32?,33-/m0/s1

InChIKey

BURQLNQHSQGPEJ-OGMXQXBRSA-N

Smiles

C(N[C@@H](C(=O)O)C(C)C)([C@@H](NC([C@@H](C[C@@H]([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C(C)C)=O)CO)=O)CCC(=O)N)=O)CC(=O)N)=O)CC(C)C)O)C(C)C)=O)[C@H](CC)C)=O