Chem
J-GLOBAL ID:200907025616439246   Nikkaji number:J2.736.567A

Fibrinopeptide B

フィブリノペプチドB
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: C63H88N18O24
Molecular formula furigana: C63-H88-N18-O24
Molecular weight: 1481.499
InChI: InChI=1S/C63H88N18O24/c1-30(2)51(81-47(87)28-70-52(94)33-15-18-45(85)71-33)61(103)79-40(25-44(65)84)58(100)78-41(26-50(92)93)59(101)77-39(24-43(64)83)57(99)74-35(17-20-49(90)91)54(96)73-34(16-19-48(88)89)53(95)69-27-46(86)72-37(22-31-10-5-3-6-11-31)55(97)76-38(23-32-12-7-4-8-13-32)56(98)80-42(29-82)60(102)75-36(62(104)105)14-9-21-68-63(66)67/h3-8,10-13,30,33-42,51,82H,9,14-29H2,1-2H3,(H2,64,83)(H2,65,84)(H,69,95)(H,70,94)(H,71,85)(H,72,86)(H,73,96)(H,74,99)(H,75,102)(H,76,97)(H,77,101)(H,78,100)(H,79,103)(H,80,98)(H,81,87)(H,88,89)(H,90,91)(H,92,93)(H,104,105)(H4,66,67,68)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,51-/m0/s1
InChI key: VNFGEAKOULMDNK-JOFLMZNTSA-N
SMILES: CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name  (3):
  • 5-オキソ-L-Pro-Gly-L-Val-L-Asn-L-Asp-L-Asn-L-Glu-L-Glu-Gly-L-Phe-L-Phe-L-Ser-L-Arg-OH
  • (4S)-4-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-カルボキシブチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}-2-フェニルエチル]カルバモイル}-2-フェニルエチル]カルバモイル}メチル)カルバモイル]-3-カルボキシプロピル]カルバモイル}-4-[(2S)-3-カルバモイル-2-[(2S)-2-[(2S)-3-カルバモイル-2-[(2S)-3-メチル-2-(2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}アセトアミド)ブタンアミド]プロパンアミド]-3-カルボキシプロパンアミド]プロパンアミド]ブタン酸
  • (4S)-4-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-3-carboxypropyl]carbamoyl}-4-[(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-methyl-2-(2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}acetamido)butanamido]propanamido]-3-carboxypropanamido]propanamido]butanoic acid
Other name (5):
  • 5-Oxo-L-Pro-Gly-L-Val-L-Asn-L-Asp-L-Asn-L-Glu-L-Glu-Gly-L-Phe-L-Phe-L-Ser-L-Arg-OH
  • Fibrinopeptide B
  • Fibrinopeptide B【human】
  • フィブリノペプチドB
  • フィブリノペプチドB【ヒト】
CAS registry number: 36204-23-6
KEGG COMPOUND: C02404
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