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Substance Name: L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-1-oxo-2-((2-pyridinylacetyl)amino)butyl)amino)-1,6-diphenyl-, (2(S),5(S))-
RN: 134805-81-5
InChIKey: ZWBRQYSXZUTBRN-PVDPUWTDSA-N

Molecular Formula

  • C42-H52-N6-O6

Molecular Weight

  • 736.9088
 
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Names and Synonyms

Synonym

  • Bis(2-PyAc-Val-Phe-psi-(CHOH))

Systematic Name

  • L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-1-oxo-2-((2-pyridinylacetyl)amino)butyl)amino)-1,6-diphenyl-, (2(S),5(S))-

Registry Numbers

CAS Registry Number

  • 134805-81-5

System Generated Number

  • 0134805815

Structure Descriptors

InChI

1S/C42H52N6O6/c1-27(2)37(47-35(49)25-31-19-11-13-21-43-31)41(53)45-33(23-29-15-7-5-8-16-29)39(51)40(52)34(24-30-17-9-6-10-18-30)46-42(54)38(28(3)4)48-36(50)26-32-20-12-14-22-44-32/h5-22,27-28,33-34,37-40,51-52H,23-26H2,1-4H3,(H,45,53)(H,46,54)(H,47,49)(H,48,50)/t33-,34-,37-,38-,39+,40+/m0/s1

InChIKey

ZWBRQYSXZUTBRN-PVDPUWTDSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)Cc3ccccn3)O)O)NC(=O)Cc4ccccn4