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Substance Name: Cyanopeptolin 954
RN: 866718-63-0
InChIKey: JECPFNPTJNKMMN-LJHWZSARSA-N

Note

  • Chlorine-containing chymotrypsin Inhibitor of Microcystis aeruginosa NIVA Cya 43.

Molecular Formula

  • C46-H63-Cl-N8-O12

Molecular Weight

  • 955.5007
 
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Names and Synonyms

Results Name

  • Cyanopeptolin 954

Synonym

  • Cyanopeptolin 954

Systematic Name

  • L-Valine, N2-acetyl-L-glutaminyl-L-threonyl-L-leucyl-(alphaS,3S,6R)-3-amino-6-hydroxy-2-oxo-alpha-(phenylmethyl)-1-piperidineacetyl-3-chloro-N-methyl-L-tyrosyl-, (6-2)-lactone

Registry Numbers

CAS Registry Number

  • 866718-63-0

System Generated Number

  • 0866718630

Structure Descriptors

InChI

1S/C46H63ClN8O12/c1-23(2)19-32-41(61)50-31-15-18-37(59)55(44(31)64)34(21-27-11-9-8-10-12-27)45(65)54(7)33(22-28-13-16-35(57)29(47)20-28)42(62)52-38(24(3)4)46(66)67-25(5)39(43(63)51-32)53-40(60)30(49-26(6)56)14-17-36(48)58/h8-13,16,20,23-25,30-34,37-39,57,59H,14-15,17-19,21-22H2,1-7H3,(H2,48,58)(H,49,56)(H,50,61)(H,51,63)(H,52,62)(H,53,60)/t25-,30-,31+,32-,33-,34-,37-,38-,39-/m0/s1

InChIKey

JECPFNPTJNKMMN-LJHWZSARSA-N

Smiles

CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)C)[C@H](C)OC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H](Cc3ccccc3)N4[C@@H](O)CC[C@@H](NC1=O)C4=O)C(C)C