Chem
J-GLOBAL ID：201507086065983817   Nikkaji number：J3.356.820G

Teixobactin

テイクソバクチン
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： C58H95N15O15
Molecular formula furigana： C58-H95-N15-O15
Molecular weight： 1242.488
InChI： InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30+,31-,32-,33?,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46?/m0/s1
InChI key： LMBFAGIMSUYTBN-WPDNGTQASA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NC1C(C)OC(=O)[C@@H](NC(=O)[C@H](C[C@H]2CNC(=N)N2)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC
Systematic name  (4)：
  • N-[N-メチル-D-Phe-L-Ile-L-Ser-D-Gln-D-Ile-L-Ile-L-Ser-]シクロ[D-Thr*-L-Ala-3-(2-イミノイミダゾリジン-4β-イル)-L-Ala-L-Ile-]
  • N-[N-メチル-D-Phe-L-Ile-L-Ser-D-Gln-D-Ile-L-Ile-L-Ser-]シクロ[D-Thr*-L-Ala-3-[(4S)-2-イミノイミダゾリジン-4-イル]-L-Ala-L-Ile-]
  • (2R)-N-[(1R,2R)-1-{[(1S,2S)-1-{[(1S)-1-{[(3S,6S,9S,12R,13S)-3-[(2S)-ブタン-2-イル]-6-{[(4S)-2-イミノイミダゾリジン-4-イル]メチル}-9,13-ジメチル-2,5,8,11-テトラオキソ-1-オキサ-4,7,10-トリアザシクロトリデカン-12-イル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-2-メチルブチル]カルバモイル}-2-メチルブチル]-2-[(2S)-3-ヒドロキシ-2-[(2S,3S)-3-メチル-2-[(2R)-2-(メチルアミノ)-3-フェニルプロパンアミド]ペンタンアミド]プロパンアミド]ペンタンジアミド
  • (2R)-N-[(1R,2R)-1-{[(1S,2S)-1-{[(1S)-1-{[(3S,6S,9S,12R,13S)-3-[(2S)-butan-2-yl]-6-{[(4S)-2-iminoimidazolidin-4-yl]methyl}-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]-2-[(2S)-3-hydroxy-2-[(2S,3S)-3-methyl-2-[(2R)-2-(methylamino)-3-phenylpropanamido]pentanamido]propanamido]pentanediamide
Other name (4)：
  • N-[N-Methyl-D-Phe-L-Ile-L-Ser-D-Gln-D-Ile-L-Ile-L-Ser-]cyclo[D-Thr*-L-Ala-3-(2-iminoimidazolidine-4β-yl)-L-Ala-L-Ile-]
  • テイクソバクチン
  • Teixobactin
  • N-[N-Methyl-D-Phe-L-Ile-L-Ser-D-Gln-D-Ile-L-Ile-L-Ser-]cyclo[D-Thr*-L-Ala-3-[(4S)-2-iminoimidazolidine-4-yl]-L-Ala-L-Ile-]
Thsaurus map：
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