Polymyxin B nonapeptide TFA(2220175-42-6)名称与标识符
名称
英文别名:
(2S,3R)-2-Amino-N-((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-ben;Polymyxin B nonapeptide TFA;(2S,3R)-2-amino-N-[(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]-3-hydroxybutanamide;2,2,2-trifluoroacetic acid;CS-0128232;2220175-42-6;DA-66797;HY-106783A;G17443;
标识符
InChIKey:
LWUQWBIOVNNTQF-OBIXLILOSA-N
Inchi:
1S/C43H74N14O11.C2HF3O2/c1-22(2)20-31-40(65)52-26(10-15-44)35(60)51-29(13-18-47)39(64)57-34(24(4)59)43(68)49-19-14-30(53-36(61)28(12-17-46)54-42(67)33(48)23(3)58)38(63)50-27(11-16-45)37(62)56-32(41(66)55-31)21-25-8-6-5-7-9-25;3-2(4,5)1(6)7/h5-9,22-24,26-34,58-59H,10-21,44-48H2,1-4H3,(H,49,68)(H,50,63)(H,51,60)(H,52,65)(H,53,61)(H,54,67)(H,55,66)(H,56,62)(H,57,64);(H,6,7)/t23-,24-,26+,27+,28+,29+,30+,31+,32-,33+,34+;/m1./s1
SMILES:
FC(C(=O)O)(F)F.O=C1[C@H](CC(C)C)NC([C@@H](CC2C=CC=CC=2)NC([C@H](CCN)NC([C@H](CCNC([C@H]([C@@H](C)O)NC([C@H](CCN)NC([C@H](CCN)N1)=O)=O)=O)NC([C@H](CCN)NC([C@H]([C@@H](C)O)N)=O)=O)=O)=O)=O