input word = C00038696

Metabolite InformationStructural formula
Name Carbamidocyclophane A
(-)-Carbamidocyclophane A
Formula C38H54Cl4N2O8
Mw 806.26342756
CAS RN 934486-63-2
C_ID C00038696 ,
InChIKey KQQDTKLGLAIGOF-XTTYTJTFNA-N
InChICode InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23-,24-,35+,36+/m0/s1
SMILES c1c(c2[C@@H](CCCC[C@@H]([C@H](c3cc(c([C@@H](CCCC[C@@H]([C@H](c1cc2O)OC(=O)N)C)CCCC(Cl)Cl)c(c3)O)O)OC(=O)N)C)CCCC(Cl)Cl)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNostoc sp. Ref.
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