3-amino-3-({4-carbamimidamido-1-[(1-{[1-({1-[(1-{2-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]-3-methylbutyl}carbamoyl)-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-phenylethyl)carbamoyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]butyl}carbamoyl)propanoic acid

• ChemBase ID: 103750
• Molecular Formular: C85H123N21O20
• Molecular Mass: 1759.01482
• Monoisotopic Mass: 1757.92532544
• SMILES: CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(Cc1c[nH]cn1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)O
• Canonical SMILES: OCC(C(=O)O)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(CC)C)NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(CC(=O)O)N)CCCNC(=N)N)Cc1ccc(cc1)O)Cc1c[nH]cn1)Cc1ccccc1)Cc1c[nH]cn1)CC(C)C)CC(C)C)Cc1ccc(cc1)O
• InChI: InChI=1S/C85H123N21O20/c1-11-48(10)70(105-78(119)62(35-51-23-27-55(109)28-24-51)100-80(121)68(46(6)7)103-72(113)57(19-15-29-91-85(87)88)94-71(112)56(86)38-67(110)111)82(123)101-64(37-53-40-90-43-93-53)83(124)106-30-16-20-66(106)79(120)98-60(33-49-17-13-12-14-18-49)74(115)97-63(36-52-39-89-42-92-52)76(117)95-58(31-44(2)3)73(114)96-59(32-45(4)5)77(118)104-69(47(8)9)81(122)99-61(34-50-21-25-54(108)26-22-50)75(116)102-65(41-107)84(125)126/h12-14,17-18,21-28,39-40,42-48,56-66,68-70,107-109H,11,15-16,19-20,29-38,41,86H2,1-10H3,(H,89,92)(H,90,93)(H,94,112)(H,95,117)(H,96,114)(H,97,115)(H,98,120)(H,99,122)(H,100,121)(H,101,123)(H,102,116)(H,103,113)(H,104,118)(H,105,119)(H,110,111)(H,125,126)(H4,87,88,91)
• InChIKey: XJFQCYIFOWHHFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-({4-carbamimidamido-1-[(1-{[1-({1-[(1-{2-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]-3-methylbutyl}carbamoyl)-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-phenylethyl)carbamoyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]butyl}carbamoyl)propanoic acid; 3-amino-3-({4-carbamimidamido-1-[(1-{[1-({1-[(1-{2-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]-3-methylbutyl}carbamoyl)-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl)carbamoyl]pyrrolidin-1-yl}-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]butyl}carbamoyl)propanoic acid
• IUPAC Traditional name: 3-amino-3-({4-carbamimidamido-1-[(1-{[1-({1-[(1-{2-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]-3-methylbutyl}carbamoyl)-2-(3H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl)carbamoyl]pyrrolidin-1-yl}-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]butyl}carbamoyl)propanoic acid; 3-amino-3-({4-carbamimidamido-1-[(1-{[1-({1-[(1-{2-[(1-{[1-({1-[(1-{[1-({1-[(1-carboxy-2-hydroxyethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl}carbamoyl)-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]-3-methylbutyl}carbamoyl)-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl)carbamoyl]pyrrolidin-1-yl}-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl)carbamoyl]butyl}carbamoyl)propanoic acid
• Synonyms: Angiotensinogen from porcine plasma; Renin Substrate; ANGIOTENSINOGEN; Renin Substrate Tetradecapeptide porcine; Angiotensinogen 1-14; Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-leu-Val-Tyr-Ser; Angiotensinogen 来源于猪血浆; 血管紧张肽原; 血管紧张肽原酶底物; 血管紧张素原 来源于猪血浆

Database IDs

• CAS Number: 20845-02-7; 64315-16-8
• MDL Number: MFCD00133798
• PubChem SID: 162090988; 24890643; 24899404
• PubChem CID: 16168599

CALCULATED PROPERTIES

• Acid pKa: 2.9426644
• H Acceptors: 26
• H Donor: 23
• LogD (pH = 5.5): -6.408188
• LogD (pH = 7.4): -5.54055
• Log P: -5.607748
• Molar Refractivity: 465.9347 cm^3
• Polarizability: 177.41742 Å^3
• Polar Surface Area: 650.08 Å^2
• Rotatable Bonds: 51
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: lyophilized powder

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: >95%; ≥97% (HPLC)
• Compostion: Protein, ~65% modified Warburg-Christian
• Suitability: suitable for measuring renin by RIA
• Empirical Formula (Hill Notation): C85H123N21O20

DETAILS

MP Biomedicals - 02152749

From Porcine Plasma
Lyophilized powder containing approx. 65% protein; remainder is primarily sodium citrate.
Suitable for measuring renin by RIA.
Activity: 1,500-3,000 units per gram of angiotensinogen protein.
Unit Definition: One unit will yield 1.0nmole of Angiotensin I in the presence of renin at pH 6.0 at 37°C (measured by RIA).

MP Biomedicals - 02191159

From Human Plasma Lyophilized powder Purity: >95% by SDS-Page Substrate for human renin which releases angiotensin I

Sigma Aldrich - R8129

Amino Acid Sequence
Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-His-Leu-leu-Val-Tyr-Ser

Sigma Aldrich - A2283

Unit Definition
在 pH 6.0 和 37°C 以及血管紧张肽原酶存在的条件下，经 RIA 测量，一单位本品可以生成 1.0nmol 血管紧张素 I。
Physical form
含柠檬酸钠的冻干粉。

REFERENCES

• Tewksbury, D.A., Fed. Proc., 42 : 2724, (1983).