2-{2-[(1-{2-[2-(2-{2-[2-(2-{2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-5-carbamimidamidopentanamido)-5-carbamimidamidopentanamido]propanoyl}pyrrolidin-2-yl)formamido]-4-carbamoylbutanamido}-3-hydroxybutanoic acid

• ChemBase编号: 105598
• 分子式: C51H83N19O19
• 平均质量: 1266.32062
• 单一同位素质量: 1265.61126153
• SMILES: CC(O)C(NC(=O)C(CCC(=O)N)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)CN)C(=O)O
• Canonical SMILES: NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(O)C)CCC(=O)N)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO)CO)Cc1ccc(cc1)O
• InChI: InChI=1S/C51H83N19O19/c1-24(48(87)70-17-5-8-35(70)47(86)66-30(13-14-36(53)76)43(82)69-39(25(2)74)49(88)89)61-41(80)28(6-3-15-58-50(54)55)64-42(81)29(7-4-16-59-51(56)57)65-45(84)33(22-72)68-46(85)34(23-73)67-44(83)32(21-71)63-38(78)20-60-40(79)31(62-37(77)19-52)18-26-9-11-27(75)12-10-26/h9-12,24-25,28-35,39,71-75H,3-8,13-23,52H2,1-2H3,(H2,53,76)(H,60,79)(H,61,80)(H,62,77)(H,63,78)(H,64,81)(H,65,84)(H,66,86)(H,67,83)(H,68,85)(H,69,82)(H,88,89)(H4,54,55,58)(H4,56,57,59)
• InChIKey: CTELNAIKTHTMNX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{2-[(1-{2-[2-(2-{2-[2-(2-{2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-5-carbamimidamidopentanamido)-5-carbamimidamidopentanamido]propanoyl}pyrrolidin-2-yl)formamido]-4-carbamoylbutanamido}-3-hydroxybutanoic acid
• IUPAC传统名: 2-{2-[(1-{2-[2-(2-{2-[2-(2-{2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-5-carbamimidamidopentanamido)-5-carbamimidamidopentanamido]propanoyl}pyrrolidin-2-yl)formamido]-4-carbamoylbutanamido}-3-hydroxybutanoic acid
• 别名: IGF-I Frag. 30-41; IGF-I C-Peptide; INSULIN-LIKE GROWTH FACTOR I, FRAGMENT 30-41

登记号

• PubChem SID: 162105882
• PubChem CID: 23026310

理论计算性质

• Acid pKa: 3.144232
• 质子受体: 26
• 质子供体: 24
• LogD (pH = 5.5): -19.066803
• LogD (pH = 7.4): -17.373388
• Log P: -16.557587
• 摩尔折射率: 326.1277 cm^3
• 极化性: 118.90442 Å^3
• 极化表面积: 642.67 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

• 保存条件: 0°C

详细说明

MP Biomedicals - 02191469

Human, Synthetic
H-Gly-Tyr-Gly-Ser-Ser-Ser-Arg-Arg-Ala-Pro-Gln-Thr-OH
This peptide corresponds to the C-peptide region of IGF-I and may be used to generate antibodies reactive against that region.

参考文献

• Hintz, R.L., et al., J. Clin. Endocrinol. Metab. , 50 : 405, (1980).