1-(2-{2-[2-({1-[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl}formamido)acetamido]-3-phenylpropanamido}-3-hydroxypropanoyl)pyrrolidine-2-carboxylic acid

• ChemBase编号: 103767
• 分子式: C35H52N10O9
• 平均质量: 756.84898
• 单一同位素质量: 756.39187329
• SMILES: NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NC(CO)C(=O)N1CCCC1C(=O)O
• Canonical SMILES: OCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCNC(=N)N)N
• InChI: InChI=1S/C35H52N10O9/c36-22(10-4-14-39-35(37)38)31(50)44-16-6-12-26(44)33(52)43-15-5-11-25(43)30(49)40-19-28(47)41-23(18-21-8-2-1-3-9-21)29(48)42-24(20-46)32(51)45-17-7-13-27(45)34(53)54/h1-3,8-9,22-27,46H,4-7,10-20,36H2,(H,40,49)(H,41,47)(H,42,48)(H,53,54)(H4,37,38,39)
• InChIKey: CRROPKNGCGVIOG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-{2-[2-({1-[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl}formamido)acetamido]-3-phenylpropanamido}-3-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
• IUPAC传统名: 1-(2-{2-[2-({1-[1-(2-amino-5-carbamimidamidopentanoyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl}formamido)acetamido]-3-phenylpropanamido}-3-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
• 别名: Bradykinin Fragment 1-7; Bradykinin fragment 1-7, mass spec standard; ProteoMass™ Bradykinin Fragment 1-7 MALDI-MS Standard; Arg-Pro-Pro-Gly-Phe-Ser-Pro; BRADYKININ, Fragment 1-7

登记号

• CAS号: 23815-87-4
• MDL号: MFCD00076262
• PubChem SID: 162090955; 24891606; 24891757
• PubChem CID: 4223795

理论计算性质

• Acid pKa: 3.2847693
• 质子受体: 13
• 质子供体: 9
• LogD (pH = 5.5): -7.6941442
• LogD (pH = 7.4): -6.0131626
• Log P: -5.5088773
• 摩尔折射率: 202.4436 cm^3
• 极化性: 74.70189 Å^3
• 极化表面积: 293.68 Å^2
• 可自由旋转的化学键: 17
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: -20°C
• 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: rat ... Nppa(24602)

产品相关信息

• 纯度: ≥97% (HPLC)
• 包装: vial of 10 nmol
• Mol. Weight: monoisotopic mol wt 756.3997 Da

详细说明

Sigma Aldrich - B1651

Amino Acid Sequence
Arg-Pro-Pro-Gly-Phe-Ser-Pro

Sigma Aldrich - B4181

Application
Peptide calibration standard for MALDI-MS instruments; 1 vial contains 10 nmols.
法律信息
ProteoMass is a trademark of Sigma-Aldrich Co. LLC