Copiamycin
Molecular Formula:
C54H95N3O17
InChI: InChI=1/C54H95N3O17/c1-31(15-13-11-9-10-12-14-22-57-53(55)56-8)23-35(5)51-34(4)17-20-42(60)36(6)44(62)25-38(58)24-39(72-50(69)29-48(66)67)26-40-27-46(64)52(70)54(71,74-40)30-47(65)33(3)16-19-41(59)37(7)45(63)28-43(61)32(2)18-21-49(68)73-51/h9-10,17-18,20-21,31-47,51-52,58-65,70-71H,11-16,19,22-30H2,1-8H3,(H,66,67)(H3,55,56,57)/b10-9+,20-17+,21-18-/f/h57,66H,55H2/b10-9+,20-17+,21-18-,56-53+
InChIKey: InChIKey=DTXXAWMAXGFPJR-ANEZEVFADH
SMILES: CC1CCC(C(C(CC(C(C=CC(=O)OC(C(C=CC(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCCC=CCCCNC(=NC)N)C)O)O)C)O
Names:
Copiamycin
NSC110325
11078-23-2
3-[[(13E,19E)-1,3,7,9,11,21,23,25,31,32-decahydroxy-4,8,12,18,22-pentamethyl-17-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-15-oxo-16,33-dioxabicyclo[27.3.1]tritriaconta-13,19-dien-27-yl]oxy]-3-oxo-propanoic acid
Registries:
PubChem CID 6440818
PubChem ID 8140031
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