Chem
J-GLOBAL ID：200907000763680363   Nikkaji number：J792.106C

S-tert-Butyl-L-Cys-Gly-L-Arg-L-Ala-L-Phe-Gly-(2,3-dihydroxypropyl)OH

S-tert-ブチル-L-Cys-Gly-L-Arg-L-Ala-L-Phe-Gly-(2,3-ジヒドロキシプロピル)OH
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： C32H53N9O9S
Molecular formula furigana： C32-H53-N9-O9-S
Molecular weight： 739.890
InChI： InChI=1S/C32H53N9O9S/c1-19(27(46)41-24(13-20-9-6-5-7-10-20)29(48)38-15-26(45)50-17-21(43)16-42)39-30(49)23(11-8-12-36-31(34)35)40-25(44)14-37-28(47)22(33)18-51-32(2,3)4/h5-7,9-10,19,21-24,42-43H,8,11-18,33H2,1-4H3,(H,37,47)(H,38,48)(H,39,49)(H,40,44)(H,41,46)(H4,34,35,36)/t19-,21?,22-,23-,24-/m0/s1
InChI key： MZOMJKWEBSACMO-DAIIKSPUSA-N
SMILES： C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CSC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCC(O)CO
Systematic name  (3)：
  • S-tert-ブチル-L-Cys-Gly-L-Arg-L-Ala-L-Phe-Gly-(2,3-ジヒドロキシプロピル)OH
  • 2,3-ジヒドロキシプロピル 2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-アミノ-3-(tert-ブチルスルファニル)プロパンアミド]アセトアミド}-5-カルバムイミドアミドペンタンアミド]プロパンアミド]-3-フェニルプロパンアミド]アセタート
  • 2,3-dihydroxypropyl 2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-(tert-butylsulfanyl)propanamido]acetamido}-5-carbamimidamidopentanamido]propanamido]-3-phenylpropanamido]acetate
Other name (1)：
  • S-tert-Butyl-L-Cys-Gly-L-Arg-L-Ala-L-Phe-Gly-(2,3-dihydroxypropyl)OH
Thsaurus map：
Thesaurus Map

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