Chem
J-GLOBAL ID：200907084158857250
Nikkaji number：J668.905A
Ovokinin
オボキニン
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
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
Molecular formula： C39H58N12O10
Molecular formula furigana： C39-H58-N12-O10
Molecular weight： 854.967
InChI：
InChI=1S/C39H58N12O10/c1-21(2)15-29(38(60)61)50-36(58)30-12-8-14-51(30)37(59)28(17-24-19-43-20-45-24)49-35(57)27(18-31(52)53)48-32(54)22(3)46-34(56)26(11-7-13-44-39(41)42)47-33(55)25(40)16-23-9-5-4-6-10-23/h4-6,9-10,19-22,25-30H,7-8,11-18,40H2,1-3H3,(H,43,45)(H,46,56)(H,47,55)(H,48,54)(H,49,57)(H,50,58)(H,52,53)(H,60,61)(H4,41,42,44)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
InChI key：
BARAQLBCEUAZDC-ODKJCKIQSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
Systematic name (3)：
- L-Phe-L-Arg-L-Ala-L-Asp-L-His-L-Pro-L-Leu-OH
- (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-フェニルプロパンアミド]-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-カルボキシプロパンアミド]-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}-4-メチルペンタン酸
- (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-5-carbamimidamidopentanamido]propanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanoic acid
- オボキニン
- Ovokinin
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