CAS No.16875-11-9,PRO-PRO-GLY-PHE-SER-PRO-PHE-ARG Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16875-11-9
Name:	PRO-PRO-GLY-PHE-SER-PRO-PHE-ARG

Formula:	C₄₄H₆₁N₁₁O₁₀
Molecular Weight:	904.036
Synonyms:	Arginine,N2-[3-phenyl-N-[1-[N-[3-phenyl-N-[N-(1-L-prolyl-L-prolyl)glycyl]-L-alanyl]-L-seryl]-L-prolyl]-L-alanyl]-(7CI);Bradykinin, 1-de-L-arginine- (8CI);1: PN: US20060043285 SEQID: 1claimed protein;6: PN: WO2005057221 PAGE: 17 unclaimed protein;Bradykinin 2-9;De-Arg1-bradykinin;Des-Arg-bradykinin (human);Desarginine-1 bradykinin;9: PN:WO2004069857 PAGE: 49 unclaimed protein;Des-Arg1-bradykinin;
Density:	1.47 g/cm³
PSA:	317.58000
LogP:	0.95140

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Specification

The 2-9-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 16875-11-9, it is also named as Prolylprolylglycylphenylalanylserylprolylphenylalanylarginine. The product's categories are Peptide; BradykininsPeptides and Proteins; Bradykinins; Neuropeptides; Peptides for Cell Biology.

Physical properties about 2-9-Bradykinin are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.28; (4)ACD/LogD (pH 7.4): -2.26; (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: 21; (10)#H bond donors: 12; (11)#Freely Rotating Bonds: 23; (12)Polar Surface Area: 199.78 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 234.23 cm³; (15)Molar Volume: 616.3 cm³; (16)Polarizability: 92.85×10^-24cm³; (17)Surface Tension: 66 dyne/cm; (18)Density: 1.46 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)NC(C(=O)O)CCC/N=C(\N)N)Cc2ccccc2)CCC3)CO)Cc4ccccc4)C5NCCC5
(2)InChI: InChI=1/C44H61N11O10/c45-44(46)48-20-8-16-30(43(64)65)51-38(59)32(24-28-13-5-2-6-14-28)52-40(61)35-18-10-22-55(35)42(63)33(26-56)53-37(58)31(23-27-11-3-1-4-12-27)50-36(57)25-49-39(60)34-17-9-21-54(34)41(62)29-15-7-19-47-29/h1-6,11-14,29-35,47,56H,7-10,15-26H2,(H,49,60)(H,50,57)(H,51,59)(H,52,61)(H,53,58)(H,64,65)(H4,45,46,48)
(3)InChIKey: ZZHVXIPXTCBVBE-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C44H61N11O10/c45-44(46)48-20-8-16-30(43(64)65)51-38(59)32(24-28-13-5-2-6-14-28)52-40(61)35-18-10-22-55(35)42(63)33(26-56)53-37(58)31(23-27-11-3-1-4-12-27)50-36(57)25-49-39(60)34-17-9-21-54(34)41(62)29-15-7-19-47-29/h1-6,11-14,29-35,47,56H,7-10,15-26H2,(H,49,60)(H,50,57)(H,51,59)(H,52,61)(H,53,58)(H,64,65)(H4,45,46,48)
(5)Std. InChIKey: ZZHVXIPXTCBVBE-UHFFFAOYSA-N