Chem
J-GLOBAL ID：201207045995930390   Nikkaji number：J3.072.176D

Mirubactin

ミルバクチン
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： C26H32N6O11
Molecular formula furigana： C26-H32-N6-O11
Molecular weight： 604.573
InChI： InChI=1S/C26H32N6O11/c27-26(28)29-11-3-7-16(30-22(38)14-5-1-9-18(34)20(14)36)23(39)31-17(24(40)41)8-4-12-32(13-33)43-25(42)15-6-2-10-19(35)21(15)37/h1-2,5-6,9-10,13,16-17,34-37H,3-4,7-8,11-12H2,(H,30,38)(H,31,39)(H,40,41)(H4,27,28,29)/t16-,17-/m1/s1
InChI key： JANBVBCLMZUUHR-IAGOWNOFSA-N
SMILES： NC(=N)NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@H](CCCN(OC(=O)c1cccc(O)c1O)C=O)C(=O)O
Systematic name  (3)：
  • Nα-(2,3-ジヒドロキシベンゾイル)-D-Arg-N5-ホルミル-N5-(2,3-ジヒドロキシベンゾイルオキシ)-D-Orn-OH
  • (2R)-2-[(2R)-5-カルバムイミドアミド-2-[(2,3-ジヒドロキシフェニル)ホルムアミド]ペンタンアミド]-5-[N-(2,3-ジヒドロキシベンゾイルオキシ)ホルムアミド]ペンタン酸
  • (2R)-2-[(2R)-5-carbamimidamido-2-[(2,3-dihydroxyphenyl)formamido]pentanamido]-5-[N-(2,3-dihydroxybenzoyloxy)formamido]pentanoic acid
Other name (3)：
  • Nα-(2,3-Dihydroxybenzoyl)-D-Arg-N5-formyl-N5-(2,3-dihydroxybenzoyloxy)-D-Orn-OH
  • ミルバクチン
  • Mirubactin
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