The 1-8-Bradykinin is an organic compound with the formula C44H61N11O10. The IUPAC name of this chemical is (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid. With the CAS registry number 15958-92-6, it is also named as 1-Des-arg-bradykinin. The product's category is Peptide. Besides, it should be stored at - 20 °C.
Physical properties about 1-8-Bradykinin are: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 21; (7)#H bond donors: 12; (8)#Freely Rotating Bonds: 23; (9)Polar Surface Area: 325.28 Å2; (10)Index of Refraction: 1.687; (11)Molar Refractivity: 233.998 cm3; (12)Molar Volume: 614.473 cm3; (13)Polarizability: 92.764×10-24 cm3; (14)Surface Tension: 67.089 dyne/cm; (15)Density: 1.471 g/cm3.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
(2)InChIKey: VCEHWDBVPZFHAG-POFDKVPJBR
(3)Std. InChI: InChI=1S/C44H61N11O10/c45-29(15-7-19-48-44(46)47)40(61)55-22-10-18-35(55)42(63)54-21-8-16-33(54)38(59)49-25-36(57)50-30(23-27-11-3-1-4-12-27)37(58)52-32(26-56)41(62)53-20-9-17-34(53)39(60)51-31(43(64)65)24-28-13-5-2-6-14-28/h1-6,11-14,29-35,56H,7-10,15-26,45H2,(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H,64,65)(H4,46,47,48)/t29-,30-,31-,32-,33-,34-,35-/m0/s1
(4)Std. InChIKey: VCEHWDBVPZFHAG-POFDKVPJSA-N
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