Chem
J-GLOBAL ID：200907035444010515   Nikkaji number：J485.864F

Polymyxin B heptapeptide

ポリミキシンBヘプタペプチド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C35H59N11O8
Molecular formula furigana： C35-H59-N11-O8
Molecular weight： 761.926
InChI： InChI=1S/C35H59N11O8/c1-19(2)17-26-33(52)43-24(10-14-37)30(49)42-25(11-15-38)32(51)46-28(20(3)47)35(54)40-16-12-22(39)29(48)41-23(9-13-36)31(50)45-27(34(53)44-26)18-21-7-5-4-6-8-21/h4-8,19-20,22-28,47H,9-18,36-39H2,1-3H3,(H,40,54)(H,41,48)(H,42,49)(H,43,52)(H,44,53)(H,45,50)(H,46,51)/t20-,22+,23+,24?,25+,26?,27?,28+/m1/s1
InChI key： NWSAVBXSWHIMJT-DDWQHSRXSA-N
SMILES： CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)C(CCN)NC1=O)[C@@H](C)O
Systematic name  (3)：
  • シクロ(L-A2bu*-L-A2bu-D-Phe-L-Leu-L-A2bu-L-A2bu-L-Thr-)
  • (3S,6S,9S,12S,15R,18S,21S)-21-アミノ-6,9,18-トリス(2-アミノエチル)-15-ベンジル-3-[(1R)-1-ヒドロキシエチル]-12-(2-メチルプロピル)-1,4,7,10,13,16,19-ヘプタアザシクロトリコサン-2,5,8,11,14,17,20-ヘプタオン
  • (3S,6S,9S,12S,15R,18S,21S)-21-amino-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptone
Other name (3)：
  • ポリミキシンBヘプタペプチド
  • Polymyxin B heptapeptide
  • Cyclo(L-A2bu*-L-A2bu-D-Phe-L-Leu-L-A2bu-L-A2bu-L-Thr-)
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM