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AG00C928

4135-11-9 | polymyxin B(1)

Chemical structure of polymyxin B(1), CAS 4135-11-9
AG00C928
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CAS Number 4135-11-9
Catalog Number AG00C928(AGN-PC-0RQD2G)
Chemical Name polymyxin B(1)
IUPAC Name (6S)-N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methyloctanamide
InChI InChI=1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32-,33+,34+,36-,37-,38-,39-,40-,41-,42-,43+,45-,46-/m0/s1
InChI Key WQVJHHACXVLGBL-CTMZAJDNSA-N
MDL Number MFCD01699017
Molecular Formula C56H98N16O13
Molecular Weight 1203.4767
SMILES C([C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCN)C(=O)N[C@@]([C@@H](C)O)(C(=O)NCC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CCCC[C@H](CC)C)=O)CCN)=O)[C@@H](C)O)=O)CCN)=O)C(=O)N[C@@H](CCN)C(=O)N1)[H])C2=CC=CC=C2
UNII B35S89JSRU
Synonyms
polymyxin B(1), polymyxin B1, Polymyxin B1, UNII-B35S89JSRU, B35S89JSRU, 4135-11-9, BRN 0505906, CHEMBL2397513, SCHEMBL14241069, UNII-J2VZ07J96K component WQVJHHACXVLGBL-CTMZAJDNSA-N, Polymyxin B(1), CID11228650, (6R)-N-[(2S)-4-amino-1-{[(2S,3R)-1-{[(2S)-4-amino-1-oxo-1-{[(3S,6R,9S,12S,15S,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}butan-2-y,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
    		Product ID:
    Manufacture Date:
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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