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Substance Name: Nordidemnin B
RN: 117710-03-9
InChIKey: CKVQLVKUIHIXIC-WSWSWPEESA-N

Note

  • A natural analog of the marine cyclodepsipeptide didemnin B; from Trididemnus species.

Molecular Formula

  • C56-H87-N7-O15

Molecular Weight

  • 1098.34
 
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Names and Synonyms

Name of Substance

  • Nordidemnin B

Synonym

  • Nordidemnin

Systematic Name

  • Didemnin A, 1-(N-(1-(2-hydroxy-1-oxopropyl)-L-prolyl)-N-methyl-D-leucine)-3-((3S,4R)-3-hydroxy-5-methyl-4-aminohexanoic acid)-

Registry Numbers

CAS Registry Number

  • 117710-03-9

System Generated Number

  • 0117710039

Structure Descriptors

InChI

1S/C56H87N7O15/c1-29(2)25-38-53(72)63-24-16-18-40(63)55(74)61(13)42(27-36-19-21-37(76-14)22-20-36)56(75)77-35(11)46(59-50(69)41(26-30(3)4)60(12)54(73)39-17-15-23-62(39)52(71)34(10)64)51(70)58-45(31(5)6)43(65)28-44(66)78-48(32(7)8)47(67)33(9)49(68)57-38/h19-22,29-35,38-43,45-46,48,64-65H,15-18,23-28H2,1-14H3,(H,57,68)(H,58,70)(H,59,69)/t33-,34-,35+,38-,39-,40-,41?,42-,43-,45+,46-,48-/m0/s1

InChIKey

CKVQLVKUIHIXIC-WSWSWPEESA-N

Smiles

C1[C@H](N(CC1)C([C@H](C)O)=O)C(N([C@@H](C(N[C@H]1[C@H](OC([C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@H](O)[C@H](NC1=O)C(C)C)CC(C)C)=O)C)=O)CC(C)C)C)=O