Chem
J-GLOBAL ID：200907001989654876   Nikkaji number：J878.442F

2,2′-[Hexamethylenebis(imino)bis[[3-(4-chlorophenyl)guanidino]methylidynenitrilo]]bispropionic acid

2,2′-[ヘキサメチレンビス(イミノ)ビス[[3-(4-クロロフェニル)グアニジノ]メチリジンニトリロ]]ビスプロピオン酸
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： C28H38Cl2N10O4
Molecular formula furigana： C28-H38-CL2-N10-O4
Molecular weight： 649.580
InChI： InChI=1S/C28H38Cl2N10O4/c1-17(23(41)42)35-27(39-25(31)37-21-11-7-19(29)8-12-21)33-15-5-3-4-6-16-34-28(36-18(2)24(43)44)40-26(32)38-22-13-9-20(30)10-14-22/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,41,42)(H,43,44)(H4,31,33,35,37,39)(H4,32,34,36,38,40)
InChI key： LZILSQSJMQAKDE-UHFFFAOYSA-N
SMILES： CC(N=C(NCCCCCCNC(=NC(C)C(=O)O)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1)C(=O)O
Systematic name  (3)：
  • 2,2′-[ヘキサメチレンビス(イミノ)ビス[[3-(4-クロロフェニル)グアニジノ]メチリジンニトリロ]]ビスプロピオン酸
  • 2-{[({6-[N''-(1-カルボキシエチル)-N'-[N-(4-クロロフェニル)カルバムイミドイル]カルバムイミドアミド]ヘキシル}アミノ)[N'-(4-クロロフェニル)カルバムイミドアミド]メチリデン]アミノ}プロパン酸
  • 2-{[({6-[N''-(1-carboxyethyl)-N'-[N-(4-chlorophenyl)carbamimidoyl]carbamimidamido]hexyl}amino)[N'-(4-chlorophenyl)carbamimidamido]methylidene]amino}propanoic acid
Other name (1)：
  • 2,2′-[Hexamethylenebis(imino)bis[[3-(4-chlorophenyl)guanidino]methylidynenitrilo]]bispropionic acid
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