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Bradykinin, 6-L-threonine-

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Name

Bradykinin, 6-L-threonine-

EINECS
CAS No. 6120-63-4 Density 1.48 g/cm3
Solubility Melting Point
Formula C51H75N15O11 Boiling Point
Molecular Weight 1074.24 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 6120-63-4 (Bradykinin, 6-L-threonine-) Hazard Symbols
Synonyms

Arginine,N2-[N-[1-[N-[N-[N-[1-(1-L-arginyl-L-prolyl)-L-prolyl]glycyl]-3-phenyl-L-alanyl]-L-threonyl]-L-prolyl]-3-phenyl-L-alanyl]-(7CI);Bradykinin-related peptide (Alligator mississippiensis) (9CI);10: PN:WO2004068928 PAGE: 65 unclaimed sequence;38: PN: WO03028666 SEQID: 35unclaimed sequence;6-Threonine-bradykinin;Alligator bradykinin-relatedpeptide;Bradykinin-related peptide (Pseudemys scripta);Bradykinin-relatedpeptide (Varanus grayi);Gray's monitor bradykinin-related peptide;Turtlebradykinin;[Thr6]bradykinin;[Thr6]-Bradykinin;

 

Bradykinin, 6-L-threonine- Specification

This chemical is called Bradykinin, 6-L-threonine-, and it's also named as Bradykinin, thr(6)-. With the molecular formula of C51H75N15O11, its molecular weight is 1074.24. The CAS registry number of this chemical is 6120-63-4. In addition, this chemical should be sealed at -15 °C.

Other characteristics of the Bradykinin, 6-L-threonine- can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.95; (4)ACD/LogD (pH 7.4): -3.45; (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: 26; (10)#H bond donors: 17; (11)#Freely Rotating Bonds: 29; (12)Polar Surface Area: 238.93 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 276.86 cm3; (15)Molar Volume: 725.2 cm3; (16)Polarizability: 109.75×10-24cm3; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.48 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)CCC/N=C(\N)N)Cc1ccccc1)[C@H]5N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]3N(C(=O)[C@H]2N(C(=O)[C@@H](N)CCC/N=C(\N)N)CCC2)CCC3)Cc4ccccc4)[C@H](O)C)CCC5
2.InChI: InChI=1/C51H75N15O11/c1-30(67)41(48(75)65-25-11-20-38(65)45(72)62-36(28-32-15-6-3-7-16-32)42(69)61-34(49(76)77)18-9-23-58-51(55)56)63-43(70)35(27-31-13-4-2-5-14-31)60-40(68)29-59-44(71)37-19-10-24-64(37)47(74)39-21-12-26-66(39)46(73)33(52)17-8-22-57-50(53)54/h2-7,13-16,30,33-39,41,67H,8-12,17-29,52H2,1H3,(H,59,71)(H,60,68)(H,61,69)(H,62,72)(H,63,70)(H,76,77)(H4,53,54,57)(H4,55,56,58)/t30-,33+,34+,35+,36+,37+,38+,39+,41+/m1/s1
3.InChIKey: KEENLDNPNYUZAH-AVMIMLMABK

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