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AG001JF2

144371-88-0 | Pneumocandin A0, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-

Chemical structure of Pneumocandin A0, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-, CAS 144371-88-0
AG001JF2
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CAS Number 144371-88-0
Catalog Number AG001JF2(AGN-PC-0PVH9H)
Chemical Name Pneumocandin A0, 1-[(4R,5R)-4,5-dihydroxy-N2-(1-oxohexadecyl)-L-ornithine]-4-[(4S)-4-hydroxy-4-[4-hydroxy-3-(sulfooxy)phenyl]-L-threonine]-
IUPAC Name [5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-[(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-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
InChI InChI=1S/C51H82N8O21S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-30-22-34(64)47(72)57-49(74)41-42(67)26(2)24-59(41)51(76)39(33(63)23-36(52)65)55-48(73)40(44(69)43(68)28-18-19-32(62)35(20-28)80-81(77,78)79)56-46(71)31-21-29(61)25-58(31)50(75)38(27(3)60)54-45(30)70/h18-20,26-27,29-31,33-34,38-44,47,60-64,67-69,72H,4-17,21-25H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)/t26-,27+,29+,30-,31-,33+,34+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
InChI Key KAPLTEIQCKDUAT-UYCSHIFKSA-N
MDL Number MFCD00903560
Molecular Formula C51H82N8O21S
Molecular Weight 1175.3028
SMILES O=C([C@@]([H])(NC([C@]1(N(C[C@@H](C1)O)C([C@@]([H])(NC2=O)[C@@H](C)O)=O)[H])=O)[C@@H]([C@H](C3=CC=C(C(OS(O)(=O)=O)=C3)O)O)O)N[C@]([H])(C(N4[C@@]([H])([C@H]([C@H](C4)C)O)C(N[C@@H]([C@@H](C[C@@H]2NC(CCCCCCCCCCCCCCC)=O)O)O)=O)=O)[C@@H](CC(N)=O)O
Synonyms
FR 901379, FR-901379, FR901379, FR 901379, 144371-88-0, FT-0697683, KAPLTEIQCKDUAT-UYCSHIFKSA-N, WF11899A, CID9876882,

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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