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Kallidin, 1-L-tyrosine-(8CI,9CI)

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Name

Kallidin, 1-L-tyrosine-(8CI,9CI)

EINECS
CAS No. 33289-76-8 Density 1.48 g/cm3
Solubility Melting Point
Formula C59H82N16O13 Boiling Point
Molecular Weight 1223.38 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 33289-76-8 (Kallidin, 1-L-tyrosine-(8CI,9CI)) Hazard Symbols
Synonyms

Bradykinin,N2-L-tyrosyl-;21: PN: WO0052147 TABLE: 3 unclaimed sequence;L-Tyrosylbradykinin;[Tyr0]Bradykinin;[Tyr1]Kallidin;[Tyr]bradykinin;

 

Kallidin, 1-L-tyrosine-(8CI,9CI) Specification

The Kallidin, 1-L-tyrosine-(8CI,9CI) is an organic compound with the formula C59H82N16O13. The systematic name of this chemical is Tyrosyl-N~5~-(diaminomethylidene)ornithylprolylprolylglycylphenylalanylserylprolylphenylalanyl-N~5~-(diaminomethylidene)ornithine. With the CAS registry number 33289-76-8, it is also named as Tyrosyl-bradykinin. Besides, it should be stored at -20 °C.

Physical properties about Kallidin, 1-L-tyrosine-(8CI,9CI) are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.32; (4)ACD/LogD (pH 7.4): -2.7; (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: 29; (10)#H bond donors: 19; (11)#Freely Rotating Bonds: 34; (12) Polar Surface Area: 268.47 Å2; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 316.13 cm3; (15)Molar Volume: 824.4 cm3; (16)Polarizability: 125.32×10-24 cm3; (17)Surface Tension: 68.7 dyne/cm; (18)Density: 1.48 g/cm3.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C59H82N16O13/c60-39(30-37-21-23-38(77)24-22-37)49(79)69-40(16-7-25-65-58(61)62)54(84)75-29-11-20-47(75)56(86)74-28-9-18-45(74)52(82)67-33-48(78)68-42(31-35-12-3-1-4-13-35)50(80)72-44(34-76)55(85)73-27-10-19-46(73)53(83)71-43(32-36-14-5-2-6-15-36)51(81)70-41(57(87)88)17-8-26-66-59(63)64/h1-6,12-15,21-24,39-47,76-77H,7-11,16-20,25-34,60H2,(H,67,82)(H,68,78)(H,69,79)(H,70,81)(H,71,83)(H,72,80)(H,87,88)(H4,61,62,65)(H4,63,64,66)
(2)InChIKey: UFLZMKXYKARMGD-UHFFFAOYAP

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