Chem
J-GLOBAL ID：200907039820568072   Nikkaji number：J510.503J

4-[4-[(2-Chloroethyl)[2-[[(2R)-2-L-γ-glutamylamino-2-[(carboxymethyl)carbamoyl]ethyl]thio]ethyl]amino]phenyl]butanoic acid

4-[4-[(2-クロロエチル)[2-[[(2R)-2-L-γ-グルタミルアミノ-2-[(カルボキシメチル)カルバモイル]エチル]チオ]エチル]アミノ]フェニル]ブタン酸
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： C24H35ClN4O8S
Molecular formula furigana： C24-H35-CL-N4-O8-S
Molecular weight： 575.070
InChI： InChI=1S/C24H35ClN4O8S/c25-10-11-29(17-6-4-16(5-7-17)2-1-3-21(31)32)12-13-38-15-19(23(35)27-14-22(33)34)28-20(30)9-8-18(26)24(36)37/h4-7,18-19H,1-3,8-15,26H2,(H,27,35)(H,28,30)(H,31,32)(H,33,34)(H,36,37)/t18-,19-/m0/s1
InChI key： BQVGPQFUMPRIMA-OALUTQOASA-N
SMILES： N[C@@H](CCC(=O)N[C@@H](CSCCN(CCCl)c1ccc(CCCC(=O)O)cc1)C(=O)NCC(=O)O)C(=O)O
Systematic name  (3)：
  • 4-[4-[(2-クロロエチル)[2-[[(2R)-2-L-γ-グルタミルアミノ-2-[(カルボキシメチル)カルバモイル]エチル]チオ]エチル]アミノ]フェニル]ブタン酸
  • (2S)-2-アミノ-4-{[(1R)-1-[(カルボキシメチル)カルバモイル]-2-[(2-{[4-(3-カルボキシプロピル)フェニル](2-クロロエチル)アミノ}エチル)スルファニル]エチル]カルバモイル}ブタン酸
  • (2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-[(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)sulfanyl]ethyl]carbamoyl}butanoic acid
Other name (1)：
  • 4-[4-[(2-Chloroethyl)[2-[[(2R)-2-L-γ-glutamylamino-2-[(carboxymethyl)carbamoyl]ethyl]thio]ethyl]amino]phenyl]butanoic acid
Thsaurus map：
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