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Substance Name: 6-O-Methylbouvardin
RN: 70840-66-3
InChIKey: WASXNYRXXQONPG-PASMDGQESA-N

Molecular Formula

  • C41-H50-N6-O10

Molecular Weight

  • 786.878
 
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Names and Synonyms

Name of Substance

  • 6-O-Methylbouvardin

Systematic Names

  • Bouvardin, 6-(3-hydroxy-N,O-dimethyl-L-tyrosine)-
  • Cyclo(D-alanyl-L-seryl-N,O-dimethyl-L-tyrosyl-L-alanyl-N-methyl-L-tyrosyl-3-hydroxy-N,O-dimethyl-L-tyrosyl), cyclic (5(4)-6(3))-ether

Registry Numbers

CAS Registry Number

  • 70840-66-3

System Generated Number

  • 0070840663

Structure Descriptors

InChI

1S/C41H50N6O10/c1-23-36(49)44-30(22-48)40(53)45(3)31(18-25-8-13-28(55-6)14-9-25)38(51)43-24(2)39(52)47(5)33-19-26-10-15-29(16-11-26)57-35-21-27(12-17-34(35)56-7)20-32(37(50)42-23)46(4)41(33)54/h8-17,21,23-24,30-33,48H,18-20,22H2,1-7H3,(H,42,50)(H,43,51)(H,44,49)/t23-,24+,30+,31+,32+,33?/m1/s1

InChIKey

WASXNYRXXQONPG-PASMDGQESA-N

Smiles

C1[C@@H]2C(N([C@@H](Cc3cc(c(cc3)OC)Oc3ccc1cc3)C(N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@@H](C)C(N2C)=O)=O)Cc1ccc(OC)cc1)C)CO)C)=O)C)=O