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Substance Name: Apratoxin C
RN: 444885-30-7
InChIKey: JTCXUYPINKPSKF-VVUIKBJZSA-N

Note

  • Isolated from Lyngbya species.

Molecular Formula

  • C44-H67-N5-O8-S

Molecular Weight

  • 844.1211
 
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Names and Synonyms

Name of Substance

  • Apratoxin C

Synonym

  • Apratoxin C

Systematic Name

  • L-Proline, N-((2E)-3-((4S)-2-((1S,2S,4S,6S)-2,6-dihydroxy-1,4,7-trimethyloctyl)-4,5-dihydro-4-thiazolyl)-2-methyl-1-oxo-2-propenyl)-O-methyl-L-tyrosyl-N-methyl-L-alanyl-N-methyl-L-isoleucyl-, (4-16)-lactone

Registry Numbers

CAS Registry Number

  • 444885-30-7

System Generated Number

  • 0444885307

Structure Descriptors

InChI

1S/C44H69N5O9S/c1-12-26(5)37(46-10)42(55)49-18-17-33(44(49,43(56)57)39(53)29(8)45-9)38(52)34(22-30-13-15-32(58-11)16-14-30)48-40(54)27(6)21-31-23-59-41(47-31)28(7)36(51)20-25(4)19-35(50)24(2)3/h13-16,21,24-26,28-29,31,33-37,45-46,50-51H,12,17-20,22-23H2,1-11H3,(H,48,54)(H,56,57)/b27-21+/t25-,26-,28-,29-,31?,33?,34-,35-,36-,37-,44+/m0/s1

InChIKey

JTCXUYPINKPSKF-VVUIKBJZSA-N

Smiles

C1(=NC(CS1)/C=C(/C(=O)N[C@H](C(=O)C1[C@@](N(C(=O)[C@@H](NC)[C@H](CC)C)CC1)(C(=O)[C@@H](NC)C)C(=O)O)Cc1ccc(cc1)OC)C)[C@H]([C@H](C[C@H](C[C@@H](C(C)C)O)C)O)C