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Substance Name: S 2864
RN: 150739-46-1
InChIKey: UOEDBDDWFLNBMX-UFBZHCLNSA-N

Molecular Formula

  • C39-H55-N7-O5.C2-H4-O2

Molecular Weight

  • 761.959
 
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Names and Synonyms

Name of Substance

  • S 2864

Synonyms

  • (2S,3R,4S)-N-(N-((2R)-3-((4-(Aminopiperidyl))carbonyl)-2-benzylpropionyl)-L-histidyl)1-cyclohexyl-3,4-dihydroxy-6-(2-pyridyl)hexan-2-amine acetate
  • S-2864

Systematic Name

  • 1-Piperidinebutanamide, 4-amino-N-(2-((1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridinyl)pentyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-gamma-oxo-alpha-(phenylmethyl)-, (1S-(1R*(R*(S*)),2S*,3R*))-, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 150739-46-1

Other Registry Number

  • 135683-92-0

System Generated Number

  • 0150739461

Molecular Formulas

Molecular Formula

  • C39-H55-N7-O5.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C39-H55-N7-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C39H55N7O5.C2H4O2/c40-30-16-19-46(20-17-30)36(48)23-29(21-27-9-3-1-4-10-27)38(50)45-34(24-32-25-41-26-43-32)39(51)44-33(22-28-11-5-2-6-12-28)37(49)35(47)15-14-31-13-7-8-18-42-31;1-2(3)4/h1,3-4,7-10,13,18,25-26,28-30,33-35,37,47,49H,2,5-6,11-12,14-17,19-24,40H2,(H,41,43)(H,44,51)(H,45,50);1H3,(H,3,4)/t29?,33?,34-,35-,37+;/m0./s1

InChIKey

UOEDBDDWFLNBMX-UFBZHCLNSA-N

Smiles

N1(CCC(N)CC1)C(C[C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H]([C@H](CCc1ccccn1)O)O)CC1CCCCC1)Cc1nc[nH]c1)Cc1ccccc1)=O.C(C)(=O)O