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AG007ZI8

135575-42-7 | Pneumocandin B0

Chemical structure of Pneumocandin B0, CAS 135575-42-7
AG007ZI8
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CAS Number 135575-42-7
Catalog Number AG007ZI8(AGN-PC-0PKN1F)
Chemical Name Pneumocandin B0
IUPAC Name N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
InChI InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1
InChI Key DQXPFAADCTZLNL-ZESADUFFSA-N
MDL Number MFCD28168025
Molecular Formula C50H80N8O17
Molecular Weight 1065.2136
SMILES CC[C@@H](C[C@@H](CCCCCCCCC(N[C@H]1C[C@@H](O)[C@@H](O)NC([C@@H]2[C@@H](O)CCN2C([C@@H](NC(C(NC([C@@H]3C[C@@H](O)CN3C(C(NC1=O)[C@H](O)C)=O)=O)[C@H](O)[C@@H](O)C4=CC=C(O)C=C4)=O)[C@H](O)CC(N)=O)=O)=O)=O)C)C
Synonyms
L 688,786, L 688786, L-688,786, L-688786, pneumocandin B(0), pneumocandin B0, pneumocardin B(0), Pneumocandin B0, 135575-42-7, CHEMBL269311, L-688786, L-688,786, C50H80N8O17, Hydroxy Echinocandin, SCHEMBL8444763, DQXPFAADCTZLNL-ZESADUFFSA-N, EX-A1768, BDBM50043897, RL01599, SC-96382, FT-0697597, Y0309, 575P427, J-006720, J-523985, (2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[2-Carbamoyl-1(R)-hydroxyethyl]-23-[1(S),2(S)-dihydroxy-2-(4-hydroxyphenyl)ethyl]-9-(10,12-dimethyltetradecanamido)-2,11,12,15-tetrahydroxy-6-[1(R)-hydroxyethyl]perhydrodipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-5,8,14,19,22,25-hexaone, 10,12-Dimethyl-tetradecanoic acid [3-(2-carbamoyl-1-hydroxy-ethyl)-6-[1,2-dihydroxy-2-(4-hydroxy-phenyl)-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0*9,13*]heptacos-18-yl]-amide, 1N-[20-(2-carbamoyl-1-hydroxyethyl)-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxoperhydrodipyrrolo[2,1-c:2,1-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyltetradecanam, N-[[(1R)-3-amino-1-hydroxy-3-oxo-propyl]-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-[(1R)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide, Pneumocandin Bo, PneumocandinB0, Pneumocandin B(0), Pneumocardin B(0), Caspofungin Acetate, 98% - 1G 1g, ACN-036878, C50-H80-N8-O17, CID5742645, L 688786, L 688,786, PB0,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited