input word = C00028115

Metabolite InformationStructural formula
Name Cyclodidemnamide B
Formula C32H47N7O6S2
Mw 689.30292374
CAS RN 446821-87-0
C_ID C00028115 ,
InChIKey REMVVBALUHTLRM-JSZASMGXNA-N
InChICode InChI=1S/C32H47N7O6S2/c1-8-16(5)23-28(43)38-25(18(7)40)29(44)35-22(15(3)4)32(45)39-12-10-11-21(39)30-33-19(13-46-30)27(42)37-24(17(6)9-2)31-34-20(14-47-31)26(41)36-23/h13-18,21-25,40H,8-12H2,1-7H3,(H,35,44)(H,36,41)(H,37,42)(H,38,43)/t16-,17-,18+,21-,22-,23+,24+,25-/m0/s1
SMILES c12csc(n1)[C@H](NC(=O)c1nc([C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC2=O)[C@H](CC)C)[C@@H](C)O)C(C)C)CCC3)sc1)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum molle Ref.
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OrganismDidemnum molle
ReferenceArrault,Tetrahedron Lett.,43,(2002),4041