Chem
J-GLOBAL ID：200907000853749222   Nikkaji number：J2.497.238K

(S)-2-(L-Leu-L-Tyr-L-Arg-L-Ala-Amino)-4-(methylthio)butanethioic acid S-benzyl ester

(S)-2-(L-Leu-L-Tyr-L-Arg-L-Ala-アミノ)-4-(メチルチオ)ブタンチオ酸S-ベンジル
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： C36H54N8O6S2
Molecular formula furigana： C36-H54-N8-O6-S2
Molecular weight： 759.000
InChI： InChI=1S/C36H54N8O6S2/c1-22(2)19-27(37)32(47)44-30(20-24-12-14-26(45)15-13-24)34(49)42-28(11-8-17-40-36(38)39)33(48)41-23(3)31(46)43-29(16-18-51-4)35(50)52-21-25-9-6-5-7-10-25/h5-7,9-10,12-15,22-23,27-30,45H,8,11,16-21,37H2,1-4H3,(H,41,48)(H,42,49)(H,43,46)(H,44,47)(H4,38,39,40)/t23-,27-,28-,29-,30-/m0/s1
InChI key： AOLRNOVLGWTXEI-LTUSVDMXSA-N
SMILES： CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)SCc1ccccc1
Systematic name  (3)：
  • (S)-2-(L-Leu-L-Tyr-L-Arg-L-Ala-アミノ)-4-(メチルチオ)ブタンチオ酸S-ベンジル
  • (2S)-2-アミノ-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-(ベンジルスルファニル)-4-(メチルスルファニル)-1-オキソブタン-2-イル]カルバモイル}エチル]カルバモイル}-4-カルバムイミドアミドブチル]カルバモイル}-2-(4-ヒドロキシフェニル)エチル]-4-メチルペンタンアミド
  • (2S)-2-amino-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-(benzylsulfanyl)-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-4-methylpentanamide
Other name (1)：
  • (S)-2-(L-Leu-L-Tyr-L-Arg-L-Ala-Amino)-4-(methylthio)butanethioic acid S-benzyl ester
Thsaurus map：
Thesaurus Map

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