Echinocandin B
Molecular Formula:
C52H81N7O16
InChI: InChI=1/C52H81N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(65)53-35-26-37(64)48(71)57-50(73)42-43(66)29(2)27-59(42)52(75)40(31(4)61)55-49(72)41(45(68)44(67)32-21-23-33(62)24-22-32)56-47(70)36-25-34(63)28-58(36)51(74)39(30(3)60)54-46(35)69/h9-10,12-13,21-24,29-31,34-37,39-45,48,60-64,66-68,71H,5-8,11,14-20,25-28H2,1-4H3,(H,53,65)(H,54,69)(H,55,72)(H,56,70)(H,57,73)/b10-9-,13-12-/t29-,30-,31-,34+,35-,36-,37+,39-,40-,41-,42-,43-,44-,45-,48+/m0/s1/f/h53-57H
InChIKey: InChIKey=FAUOJMHVEYMQQG-JJPYRGBBDI
SMILES: CCCCCC=CCC=CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O
Names:
Antibiotic A 22082
Antibiotic A 30912A
Antibiotic SL 7810F
A 30912A
A-22082
Echinocandin B (9CI)
Echinocandin B
NSC 287461
54651-05-7
63035-07-4
Registries:
PubChem CID 6436199
PubChem ID 214747
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