Angiotensin III,N2-(N-methylglycyl)-4-L-isoleucine-7-L-alanine- (9CI) supplier

Name
SAR-ARG-VAL-TYR-ILE-HIS-PRO-ALA
EINECS
CAS No. 38027-95-1
Article Data3
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point
Formula C₄₃H₆₇N₁₃O₁₀
Boiling Point
Molecular Weight 926.086
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms AngiotensinII, 1-(N-methylglycine)-5-L-isoleucine-8-L-alanine-;1-Sarcosine-5-isoleucine-8-alanine-angiotensinII;[1-Sarcosine-8-alanine]-5-isoleucine-angiotensin II;Angiotensin II, 1-sar-5-ile-8-ala-;N-methylglycyl-N5-(diaminomethylidene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-alanine;
PSA 355.05000
LogP 1.95470

Angiotensin III,N2-(N-methylglycyl)-4-L-isoleucine-7-L-alanine- (9CI) Specification

The Angiotensin III,N2-(N-methylglycyl)-4-L-isoleucine-7-L-alanine- (9CI), with the CAS registry number 38027-95-1, is also known as Angiotensin II, 1-sar-5-ile-8-ala-. This chemical's molecular formula is C₄₃H₆₇N₁₃O₁₀ and molecular weight is 926.07. What's more, its systematic name is N-methylglycyl-N⁵-(diaminomethylidene)-L-ornithyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-alanine. Its storage temperature is -15 °C.

Physical properties of Angiotensin III,N2-(N-methylglycyl)-4-L-isoleucine-7-L-alanine- (9CI) are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.06; (4)ACD/LogD (pH 7.4): -2.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 23; (10)#H bond donors: 14; (11)#Freely Rotating Bonds: 27; (12)Polar Surface Area: 217.6 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 238.82 cm³; (15)Molar Volume: 655.2 cm³; (16)Polarizability: 94.67×10^-24 cm³; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.41 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC)CCC/N=C(\N)N)C(C)C)Cc1ccc(O)cc1)[C@@H](C)CC)Cc2cncn2)CCC3)C
(2)InChI: InChI=1/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25-,29-,30-,31-,32-,34-,35-/m0/s1
(3)InChIKey: XIEWFECSPPTVQN-YXRHCLBHBV

Product Name

SAR-ARG-VAL-TYR-ILE-HIS-PRO-ALA

Angiotensin III,N2-(N-methylglycyl)-4-L-isoleucine-7-L-alanine- (9CI) Specification

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