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Polymyxin B1-I

Polymyxin B1-I

Product Description
CAT No.
ALN-P150005
CAS No.
811435-10-6
Mol. F.
C56H98N16O13
Mol. Wt.
1203.5
Stock
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RFQ
Chemical Name : (S)-N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15S,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide
Smiles : CC[C@H](C)CCCCC(N[C@@H](CCN)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCN)C(N[C@@H]1C(N[C@@H](CCN)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCN)C(N[C@@H](CCN)C(N[C@@H]([C@H](O)C)C(NCC1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Inchi : InChI=1S/C55H96N16O13/c1-6-7-8-9-13-16-43(74)62-35(17-23-56)50(79)71-45(33(5)73)55(84)67-38(20-26-59)47(76)66-40-22-28-61-54(83)44(32(4)72)70-51(80)39(21-27-60)64-46(75)36(18-24-57)65-52(81)41(29-31(2)3)68-53(82)42(30-34-14-11-10-12-15-34)69-48(77)37(19-25-58)63-49(40)78/h10-12,14-15,31-33,35-42,44-45,72-73H,6-9,13,16-30,56-60H2,1-5H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79)/t32-,33-,35+,36+,37?,38+,39+,40?,41?,42+,44?,45+/m1/s1

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