input word = C00038698

Metabolite InformationStructural formula
Name Carbamidocyclophane C
(+)-Carbamidocyclophane C
Formula C38H56Cl2N2O8
Mw 738.3413722
CAS RN 934486-65-4
C_ID C00038698 ,
InChIKey GTNWJJTZQLWLEN-XPFBLYCXNA-N
InChICode InChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24+,25-,35+,36+/m0/s1
SMILES CCCC[C@@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNostoc sp. Ref.
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