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Substance Name: Apratoxin A
RN: 350791-64-9
InChIKey: WEJRVWXTUCMNQF-VFQYEWTOSA-N

Note

  • A potent cytotoxin with a novel skeleton, has been isolated from the marine cyanobacterium Lyngbya majuscula Harvey ex Gomont

Molecular Formula

  • C45-H69-N5-O8-S

Molecular Weight

  • 858.1479
 
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Names and Synonyms

Name of Substance

  • Apratoxin A

Synonym

  • Apratoxin A

Systematic Name

  • L-Proline, N-((2E)-3-((4S)-4,5-dihydro-2-((1S,2S,4S,6S)-2,6-dihydroxy-1,4,7,7-tetramethyloctyl)-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

  • 350791-64-9

System Generated Number

  • 0350791649

Structure Descriptors

InChI

1S/C45H71N5O9S/c1-13-26(3)37(47-11)42(56)50-19-18-33(45(50,43(57)58)39(54)29(6)46-10)38(53)34(23-30-14-16-32(59-12)17-15-30)49-40(55)27(4)22-31-24-60-41(48-31)28(5)35(51)20-25(2)21-36(52)44(7,8)9/h14-17,22,25-26,28-29,31,33-37,46-47,51-52H,13,18-21,23-24H2,1-12H3,(H,49,55)(H,57,58)/b27-22+/t25-,26-,28-,29-,31?,33?,34-,35-,36-,37-,45+/m0/s1

InChIKey

WEJRVWXTUCMNQF-VFQYEWTOSA-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)C)O)C)O)C