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Angiotensin II antipeptide

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Name

Angiotensin II antipeptide

EINECS N/A
CAS No. 121379-63-3 Density 1.43 g/cm3
PSA 344.44000 LogP 1.66000
Solubility N/A Melting Point N/A
Formula C42H62N10O12 Boiling Point N/A
Molecular Weight 899.01 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 121379-63-3 (ANGIOTENSIN II ANTIPEPTIDE) Hazard Symbols N/A
Synonyms

AngiotensinII, 1-L-glutamic acid-2-glycine-5-L-valine-8-L-valine-;Glutamyl-glycyl-valyl-tyrosyl-valyl-histidyl-prolyl-valine;

 

Angiotensin II antipeptide Specification

The CAS registry number of L-Valine, L-a-glutamylglycyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl- is 121379-63-3. The systematic name is L-α-glutamylglycyl-L-valyl-L-tyrosyl-L-valyl-3-(4H-imidazol-4-yl)-L-alanyl-L-prolyl-L-valine. In addition, the molecular formula is C42H62N10O12 and the molecular weight is 899.01. What's more, it belongs to the class of Peptide. It is encoded by human mRNA complementary to the mRNA for human angiotensin II.

Physical properties about L-Valine, L-a-glutamylglycyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl- are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -2.24; (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: 22; (10)#H bond donors: 11; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 231.96 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 227.89 cm3; (15)Molar Volume: 627.7 cm3; (16)Polarizability: 90.34 ×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.43 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC[C@H](N)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCC1)CC/2/N=C\N=C\2)C(C)C)Cc3ccc(O)cc3)C(C)C
(2)InChI: InChI=1/C42H62N10O12/c1-21(2)33(49-31(54)19-45-36(57)27(43)13-14-32(55)56)39(60)47-28(16-24-9-11-26(53)12-10-24)37(58)50-34(22(3)4)40(61)48-29(17-25-18-44-20-46-25)41(62)52-15-7-8-30(52)38(59)51-35(23(5)6)42(63)64/h9-12,18,20-23,25,27-30,33-35,53H,7-8,13-17,19,43H2,1-6H3,(H,45,57)(H,47,60)(H,48,61)(H,49,54)(H,50,58)(H,51,59)(H,55,56)(H,63,64)/t25?,27-,28-,29-,30-,33-,34-,35-/m0/s1
(3)InChIKey: IBKGTULCXOYHFE-SEQYDFDVBE

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