Chem
J-GLOBAL ID：200907098266202490   Nikkaji number：J553.975G

Sar-L-Arg-4α-Mercapto(1)-L-Pro-L-Tyr-L-Cys(1)-L-His-L-Pro-L-Phe-OH

Sar-L-Arg-4α-メルカプト(1)-L-Pro-L-Tyr-L-Cys(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： C46H61N13O10S2
Molecular formula furigana： C46-H61-N13-O10-S2
Molecular weight： 1020.200
InChI： InChI=1S/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)43(66)59-23-30-20-37(59)42(65)54-32(17-27-11-13-29(60)14-12-27)39(62)57-35(24-70-71-30)40(63)55-33(19-28-21-50-25-52-28)44(67)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,65)(H,55,63)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31-,32?,33-,34-,35-,36-,37-/m0/s1
InChI key： REABXZNZWCYJOF-KWHRISAASA-N
SMILES： CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1C[C@@H]2C[C@H]1C(=O)NC(Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3)：
  • Sar-L-Arg-4α-メルカプト(1)-L-Pro-L-Tyr-L-Cys(1)-L-His-L-Pro-L-Phe-OH
  • (2S)-2-{[(2S)-1-[(2S)-2-{[(1S,5R,8S,11S)-12-[(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]-8-[(4-ヒドロキシフェニル)メチル]-7,10-ジオキソ-2,3-ジチア-6,9,12-トリアザビシクロ[9.2.1]テトラデカン-5-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-{[(1S,5R,8S,11S)-12-[(2S)-5-carbamimidamido-2-[2-(methylamino)acetamido]pentanoyl]-8-[(4-hydroxyphenyl)methyl]-7,10-dioxo-2,3-dithia-6,9,12-triazabicyclo[9.2.1]tetradecan-5-yl]formamido}-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
Other name (1)：
  • Sar-L-Arg-4α-Mercapto(1)-L-Pro-L-Tyr-L-Cys(1)-L-His-L-Pro-L-Phe-OH
Thsaurus map：
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