5-carbamimidamido-2-[2-(2-{2-[2-(2-{2-[2-(3-carbamoyl-2-{2-[3-carbamoyl-2-(3-methyl-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}butanamido)propanamido]-3-carboxypropanamido}propanamido)-4-carboxybutanamido]-4-carboxybutanamido}acetamido)-3-phenylpropanamido]-3-phenylpropanamido}-3-hydroxypropanamido)propanamido]pentanoic acid

• ChemBase ID: 103257
• Molecular Formular: C66H93N19O25
• Molecular Mass: 1552.55692
• Monoisotopic Mass: 1551.65899957
• SMILES: CC(C)C(NC(=O)CNC(=O)C1CCC(=O)N1)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)O
• Canonical SMILES: OCC(C(=O)NC(C(=O)NC(C(=O)O)CCCNC(=N)N)C)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)CNC(=O)C1CCC(=O)N1)CC(=O)N)CC(=O)O)CC(=O)N)CCC(=O)O)CCC(=O)O)Cc1ccccc1
• InChI: InChI=1S/C66H93N19O25/c1-31(2)53(85-49(91)29-73-55(99)35-16-19-47(89)75-35)64(108)83-42(26-46(68)88)61(105)82-43(27-52(96)97)62(106)81-41(25-45(67)87)60(104)78-37(18-21-51(94)95)57(101)77-36(17-20-50(92)93)56(100)72-28-48(90)76-39(23-33-11-6-4-7-12-33)58(102)80-40(24-34-13-8-5-9-14-34)59(103)84-44(30-86)63(107)74-32(3)54(98)79-38(65(109)110)15-10-22-71-66(69)70/h4-9,11-14,31-32,35-44,53,86H,10,15-30H2,1-3H3,(H2,67,87)(H2,68,88)(H,72,100)(H,73,99)(H,74,107)(H,75,89)(H,76,90)(H,77,101)(H,78,104)(H,79,98)(H,80,102)(H,81,106)(H,82,105)(H,83,108)(H,84,103)(H,85,91)(H,92,93)(H,94,95)(H,96,97)(H,109,110)(H4,69,70,71)
• InChIKey: MYRIFIVQGRMHRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-carbamimidamido-2-[2-(2-{2-[2-(2-{2-[2-(3-carbamoyl-2-{2-[3-carbamoyl-2-(3-methyl-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}butanamido)propanamido]-3-carboxypropanamido}propanamido)-4-carboxybutanamido]-4-carboxybutanamido}acetamido)-3-phenylpropanamido]-3-phenylpropanamido}-3-hydroxypropanamido)propanamido]pentanoic acid
• IUPAC Traditional name: 5-carbamimidamido-2-[2-(2-{2-[2-(2-{2-[2-(3-carbamoyl-2-{2-[3-carbamoyl-2-(3-methyl-2-{2-[(5-oxopyrrolidin-2-yl)formamido]acetamido}butanamido)propanamido]-3-carboxypropanamido}propanamido)-4-carboxybutanamido]-4-carboxybutanamido}acetamido)-3-phenylpropanamido]-3-phenylpropanamido}-3-hydroxypropanamido)propanamido]pentanoic acid
• Synonyms: pyroGlu-Gly-Val-Asn-Asp-Asn-Glu-Glu-Gly-Phe-Phe-Ser-Ala-Arg; FIBRINOPEPTIDE B; Fibrinopeptide B human; 纤维蛋白肽 B 人类

Database IDs

• CAS Number: 36204-23-6
• MDL Number: MFCD00076439
• PubChem SID: 162090369; 24894841
• PubChem CID: 16133255

CALCULATED PROPERTIES

• Acid pKa: 2.968475
• H Acceptors: 28
• H Donor: 24
• LogD (pH = 5.5): -17.815573
• LogD (pH = 7.4): -22.524187
• Log P: -12.96688
• Molar Refractivity: 380.5007 cm^3
• Polarizability: 144.6594 Å^3
• Polar Surface Area: 724.91 Å^2
• Rotatable Bonds: 49
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... FGB(2244)

Product Information

• Purity: ≥97% (HPLC)

DETAILS

MP Biomedicals - 02151125

Source/Species: Human

Sigma Aldrich - F3379

Amino Acid Sequence
Glp-Gly-Val-Asn-Asp-Asn-Glu-Glu-Gly-Phe-Phe-Ser-Ala-Arg
Biochem/physiol Actions
凝血酶对纤维蛋白原作用而连续释放纤维蛋白肽对正常的纤维蛋白聚合至关重要。从纤维蛋白原 Bβ 链上切下纤维蛋白肽 B 可暴露 E 域聚合位点 E(B)，该位点可与血小板、成纤维细胞和内皮细胞相互作用。