Chem
J-GLOBAL ID：200907025165274736   Nikkaji number：J2.033.102J

Petrobactin

ペトロバクチン
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： C34H50N6O11
Molecular formula furigana： C34-H50-N6-O11
Molecular weight： 718.805
InChI： InChI=1S/C34H50N6O11/c41-25-9-7-23(19-27(25)43)31(47)39-17-5-13-35-11-1-3-15-37-29(45)21-34(51,33(49)50)22-30(46)38-16-4-2-12-36-14-6-18-40-32(48)24-8-10-26(42)28(44)20-24/h7-10,19-20,35-36,41-44,51H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50)
InChI key： GKIMOVAPSAVJHZ-UHFFFAOYSA-N
SMILES： OC(=O)C(O)(CC(=O)NCCCCNCCCNC(=O)c1ccc(O)c(O)c1)CC(=O)NCCCCNCCCNC(=O)c1ccc(O)c(O)c1
Systematic name  (5)：
  • 2-[2-[4-[[3-(3,4-ジヒドロキシベンゾイルアミノ)プロピル]アミノ]ブチルアミノ]-2-オキソエチル]-2-ヒドロキシ-4-オキソ-4-[4-[[3-(3,4-ジヒドロキシベンゾイルアミノ)プロピル]アミノ]ブチルアミノ]ブタン酸
  • N,N′-ビス[4-[[3-[(3,4-ジヒドロキシベンゾイル)アミノ]プロピル]アミノ]ブチル]-3-ヒドロキシ-3-カルボキシペンタンジアミド
  • 2-ヒドロキシ-2,2-ビス[2-オキソ-2-[[4-[[3-[(3,4-ジヒドロキシベンゾイル)アミノ]プロピル]アミノ]ブチル]アミノ]エチル]酢酸
  • 3-{[4-({3-[(3,4-ジヒドロキシフェニル)ホルムアミド]プロピル}アミノ)ブチル]カルバモイル}-2-({[4-({3-[(3,4-ジヒドロキシフェニル)ホルムアミド]プロピル}アミノ)ブチル]カルバモイル}メチル)-2-ヒドロキシプロパン酸
  • 3-{[4-({3-[(3,4-dihydroxyphenyl)formamido]propyl}amino)butyl]carbamoyl}-2-({[4-({3-[(3,4-dihydroxyphenyl)formamido]propyl}amino)butyl]carbamoyl}methyl)-2-hydroxypropanoic acid
Other name (5)：
  • 2-[2-[4-[[3-(3,4-Dihydroxybenzoylamino)propyl]amino]butylamino]-2-oxoethyl]-2-hydroxy-4-oxo-4-[4-[[3-(3,4-dihydroxybenzoylamino)propyl]amino]butylamino]butanoic acid
  • ペトロバクチン
  • Petrobactin
  • N,N′-Bis[4-[[3-[(3,4-dihydroxybenzoyl)amino]propyl]amino]butyl]-3-hydroxy-3-carboxypentanediamide
  • 2-Hydroxy-2,2-bis[2-oxo-2-[[4-[[3-[(3,4-dihydroxybenzoyl)amino]propyl]amino]butyl]amino]ethyl]acetic acid
CAS registry number： 545434-89-7
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