Chem
J-GLOBAL ID：200907051542957453   Nikkaji number：J553.980C

Sar-L-Arg-4β-Mercapto(1)-L-Pro-L-Tyr-L-Hcy(1)-L-His-L-Pro-L-Phe-OH

Sar-L-Arg-4β-メルカプト(1)-L-Pro-L-Tyr-L-Hcy(1)-L-His-L-Pro-L-Phe-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： C47H63N13O10S2
Molecular formula furigana： C47-H63-N13-O10-S2
Molecular weight： 1034.220
InChI： InChI=1S/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32+,33+,34+,35+,36?,37+,38?/m1/s1
InChI key： HTVRDIRGEIESHE-JYMAHVKHSA-N
SMILES： CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)O
Systematic name  (3)：
  • Sar-L-Arg-4β-メルカプト(1)-L-Pro-L-Tyr-L-Hcy(1)-L-His-L-Pro-L-Phe-OH
  • (2S)-2-{[(2S)-1-[(2S)-2-{[(1R,6S,9S,12S)-13-[(2S)-5-カルバムイミドアミド-2-[2-(メチルアミノ)アセトアミド]ペンタノイル]-9-[(4-ヒドロキシフェニル)メチル]-8,11-ジオキソ-2,3-ジチア-7,10,13-トリアザビシクロ[10.2.1]ペンタデカン-6-イル]ホルムアミド}-3-(1H-イミダゾール-4-イル)プロパノイル]ピロリジン-2-イル]ホルムアミド}-3-フェニルプロパン酸
  • (2S)-2-{[(2S)-1-[(2S)-2-{[(1R,6S,9S,12S)-13-[(2S)-5-carbamimidamido-2-[2-(methylamino)acetamido]pentanoyl]-9-[(4-hydroxyphenyl)methyl]-8,11-dioxo-2,3-dithia-7,10,13-triazabicyclo[10.2.1]pentadecan-6-yl]formamido}-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
Other name (1)：
  • Sar-L-Arg-4β-Mercapto(1)-L-Pro-L-Tyr-L-Hcy(1)-L-His-L-Pro-L-Phe-OH
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