Chem
J-GLOBAL ID：200907063817573942   Nikkaji number：J2.751.213E

[[4-[4-[[(Carboxymethyl)[5-[[5-(1,2-dithiolane-3-yl)pentanoyl]amino]-1-carboxypentyl]amino]methyl]phenylazo]benzyl]imino]bisacetic acid

[[4-[4-[[(カルボキシメチル)[5-[[5-(1,2-ジチオラン-3-イル)ペンタノイル]アミノ]-1-カルボキシペンチル]アミノ]メチル]フェニルアゾ]ベンジル]イミノ]ビス酢酸
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： C34H45N5O9S2
Molecular formula furigana： C34-H45-N5-O9-S2
Molecular weight： 731.880
InChI： InChI=1S/C34H45N5O9S2/c40-30(7-2-1-5-28-16-18-49-50-28)35-17-4-3-6-29(34(47)48)39(23-33(45)46)20-25-10-14-27(15-11-25)37-36-26-12-8-24(9-13-26)19-38(21-31(41)42)22-32(43)44/h8-15,28-29H,1-7,16-23H2,(H,35,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)
InChI key： HRFOFQNYMHCTHQ-UHFFFAOYSA-N
SMILES： OC(=O)CN(CC(=O)O)Cc1ccc(cc1)N=Nc1ccc(CN(CC(=O)O)C(CCCCNC(=O)CCCCC2CCSS2)C(=O)O)cc1
Systematic name  (4)：
  • 2-[4-[[4-[[ビス(カルボキシメチル)アミノ]メチル]フェニル]アゾ]ベンジル(カルボキシメチル)アミノ]-6-[[5-(1,2-ジチオラン-3-イル)ペンタノイル]アミノ]ヘキサン酸
  • [[4-[4-[[(カルボキシメチル)[5-[[5-(1,2-ジチオラン-3-イル)ペンタノイル]アミノ]-1-カルボキシペンチル]アミノ]メチル]フェニルアゾ]ベンジル]イミノ]ビス酢酸
  • 2-[({4-[2-(4-{[ビス(カルボキシメチル)アミノ]メチル}フェニル)ジアゼン-1-イル]フェニル}メチル)(カルボキシメチル)アミノ]-6-[5-(1,2-ジチオラン-3-イル)ペンタンアミド]ヘキサン酸
  • 2-[({4-[2-(4-{[bis(carboxymethyl)amino]methyl}phenyl)diazen-1-yl]phenyl}methyl)(carboxymethyl)amino]-6-[5-(1,2-dithiolan-3-yl)pentanamido]hexanoic acid
Other name (2)：
  • 2-[4-[[4-[[Bis(carboxymethyl)amino]methyl]phenyl]azo]benzyl(carboxymethyl)amino]-6-[[5-(1,2-dithiolane-3-yl)pentanoyl]amino]hexanoic acid
  • [[4-[4-[[(Carboxymethyl)[5-[[5-(1,2-dithiolane-3-yl)pentanoyl]amino]-1-carboxypentyl]amino]methyl]phenylazo]benzyl]imino]bisacetic acid
Thsaurus map：
Thesaurus Map

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