Chem
J-GLOBAL ID:200907050185747589   Nikkaji number:J460.529B

L-Asp-L-Arg-L-Val-L-Tyr-L-Ala-L-His-L-Pro-L-Phe-OH

L-Asp-L-Arg-L-Val-L-Tyr-L-Ala-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: C47H65N13O12
Molecular formula furigana: C47-H65-N13-O12
Molecular weight: 1004.116
InChI: InChI=1S/C47H65N13O12/c1-25(2)38(59-41(66)32(11-7-17-52-47(49)50)55-40(65)31(48)22-37(62)63)44(69)56-33(19-28-13-15-30(61)16-14-28)42(67)54-26(3)39(64)57-34(21-29-23-51-24-53-29)45(70)60-18-8-12-36(60)43(68)58-35(46(71)72)20-27-9-5-4-6-10-27/h4-6,9-10,13-16,23-26,31-36,38,61H,7-8,11-12,17-22,48H2,1-3H3,(H,51,53)(H,54,67)(H,55,65)(H,56,69)(H,57,64)(H,58,68)(H,59,66)(H,62,63)(H,71,72)(H4,49,50,52)/t26-,31-,32-,33-,34-,35-,36-,38-/m0/s1
InChI key: JCNMTDDWYSDQII-LXGIIWDNSA-N
SMILES: CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)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):
  • L-Asp-L-Arg-L-Val-L-Tyr-L-Ala-L-His-L-Pro-L-Phe-OH
  • (3S)-3-アミノ-3-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-カルボキシ-2-フェニルエチル]カルバモイル}ピロリジン-1-イル]-3-(1H-イミダゾール-4-イル)-1-オキソプロパン-2-イル]カルバモイル}エチル]カルバモイル}-2-(4-ヒドロキシフェニル)エチル]カルバモイル}-2-メチルプロピル]カルバモイル}ブチル]カルバモイル}プロパン酸
  • (3S)-3-amino-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}propanoic acid
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