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AG00DAQC

54651-05-7 | Echinocandin B

Chemical structure of Echinocandin B, CAS 54651-05-7
AG00DAQC
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CAS Number 54651-05-7
Catalog Number AG00DAQC(AGN-PC-0WACSX)
Chemical Name Echinocandin B
IUPAC Name (9Z,12Z)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]octadeca-9,12-dienamide
InChI InChI=1S/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
InChI Key FAUOJMHVEYMQQG-HVYQDZECSA-N
MDL Number MFCD03265632
Molecular Formula C52H81N7O16
Molecular Weight 1060.2368
SMILES O=C1N2[C@@](C(N[C@@H]([C@@H](C[C@@H](C(NC([C@H](O)C)C(N3[C@](C[C@@H](O)C3)([H])C(NC([C@H](O)[C@H](C4=CC=C(O)C=C4)O)C(N[C@@]1([H])[C@H](O)C)=O)=O)=O)=O)NC(CCCCCCC/C=CC/C=CCCCCC)=O)O)O)=O)([H])[C@@H](O)[C@@H](C)C2
UNII CNW0ZW8ZTQ
Synonyms
echinocandin B, Echinocandin B, UNII-CNW0ZW8ZTQ, CNW0ZW8ZTQ, 54651-05-7, NSC 287461, A 30912A, (9Z,12Z)-N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}octadeca-9,12-dienamide, 5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-[(9Z,12Z)-octadeca-9,12-dienoyl]-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}, A-22082, Echinocandin B (9CI), SCHEMBL17951640, CHEBI:315018, Antibiotic SL 7810F, echinocandin B nucleus, Antibiotic A 30912A, Antibiotic A 22082, C52H81N7O16, C52-H81-N7-O16, CID9898144,

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    CERTIFICATE OF ANALYSIS
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited