(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]acetamido}acetamido)propanamido]hexanamido]-4-carbamoylbutanamido]propanamido]acetamido}-3-carboxypropanamido]-3-methylbutanoic acid

• ChemBase编号: 153530
• 分子式: C50H80N18O16
• 平均质量: 1189.2812
• 单一同位素质量: 1188.59996857
• SMILES: C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)N
• Canonical SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC(=O)O)C)CCC(=O)N)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)Cc1nc[nH]c1)CC(C)C)C
• InChI: InChI=1S/C50H80N18O16/c1-24(2)13-33(67-48(81)34(15-29-18-55-23-60-29)66-44(77)30(52)14-28-17-54-22-59-28)45(78)58-19-37(70)56-20-38(71)61-27(6)43(76)64-31(9-7-8-12-51)47(80)65-32(10-11-36(53)69)46(79)62-26(5)42(75)57-21-39(72)63-35(16-40(73)74)49(82)68-41(25(3)4)50(83)84/h17-18,22-27,30-35,41H,7-16,19-21,51-52H2,1-6H3,(H2,53,69)(H,54,59)(H,55,60)(H,56,70)(H,57,75)(H,58,78)(H,61,71)(H,62,79)(H,63,72)(H,64,76)(H,65,80)(H,66,77)(H,67,81)(H,68,82)(H,73,74)(H,83,84)/t26-,27-,30-,31-,32-,33-,34-,35-,41-/m0/s1
• InChIKey: STSKWZSBFZRSGP-GYDGUXFESA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]acetamido}acetamido)propanamido]hexanamido]-4-carbamoylbutanamido]propanamido]acetamido}-3-carboxypropanamido]-3-methylbutanoic acid
• IUPAC传统名: (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]acetamido}acetamido)propanamido]hexanamido]-4-carbamoylbutanamido]propanamido]acetamido}-3-carboxypropanamido]-3-methylbutanoic acid
• 别名: Fibrinogen-γ Fragment 400-411; Fibrinogen-binding Inhibitor Peptide

登记号

• CAS号: 89105-94-2
• MDL号: MFCD00167528
• PubChem SID: 162247669
• PubChem CID: 9941719

理论计算性质

• Acid pKa: 3.0947478
• 质子受体: 20
• 质子供体: 18
• LogD (pH = 5.5): -14.724697
• LogD (pH = 7.4): -13.668108
• Log P: -13.643529
• 摩尔折射率: 289.9084 cm^3
• 极化性: 113.77235 Å^3
• 极化表面积: 547.19 Å^2
• 可自由旋转的化学键: 39
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 相关基因信息: human ... FGG(2266)

产品相关信息

• 纯度: ≥97% (HPLC)
• 主要成分: Peptide content, ~70%
• Empirical Formula (Hill Notation): C50H80N18O16

详细说明

Sigma Aldrich - F9145

Amino Acid Sequence
His-His-Leu-Gly-Gly-Ala-Lys-Gln-Ala-Gly-Asp-Val
Biochem/physiol Actions
Fibrinogen γ 400-411, a non-RGD containing sequence, is derived from plasmin digestion. If platelet activation is blocked with prostaglandin E1 blockade, it is required for the establishment of initial contact and support spreading but not firm adhesion on immobilized substrate. However, in activated platelets, single γ 400-411 sequence is no longer required for initiation of adhesion but becomes sufficient for firm adhesion. In contrast to the binding of whole fibrinogen, binding of fragment 400-411 does not lead to tyrosine phosphorylation for platelet proteins.