Chem
J-GLOBAL ID：200907031398452910   Nikkaji number：J1.543.542I

Ovokinin(2-7)

オボキニン(2-7)
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： C33H47N11O9
Molecular formula furigana： C33-H47-N11-O9
Molecular weight： 741.807
InChI： InChI=1S/C33H47N11O9/c1-18(40-28(48)21(34)9-5-11-38-33(35)36)27(47)41-22(15-26(45)46)29(49)42-23(14-20-16-37-17-39-20)31(51)44-12-6-10-25(44)30(50)43-24(32(52)53)13-19-7-3-2-4-8-19/h2-4,7-8,16-18,21-25H,5-6,9-15,34H2,1H3,(H,37,39)(H,40,48)(H,41,47)(H,42,49)(H,43,50)(H,45,46)(H,52,53)(H4,35,36,38)/t18-,21-,22-,23-,24-,25-/m0/s1
InChI key： UPBCMRNBWQURFH-LHOYKQQOSA-N
SMILES： C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)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-Arg-L-Ala-L-Asp-L-His-L-Pro-L-Phe-OH
  • (3S)-3-[(2S)-2-[(2S)-2-アミノ-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-{[(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}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanamido]-3-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}propanoic acid
Other name (2)：
  • オボキニン(2-7)
  • Ovokinin(2-7)
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