CAS No.35115-60-7,BPP 9A Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	35115-60-7
Name:	BPP 9A

Formula:	C₅₃H₇₆N₁₄O₁₂
Molecular Weight:	1101.27
Synonyms:	Bradykininpotentiator B, 2-L-tryptophan-3-de-L-leucine-4-de-L-proline-8-L-glutamine-;Bradykinin potentiator BPP9a (9CI);1: PN: WO0069900 SEQID: 650 unclaimedprotein;2: PN: WO2009033822 PAGE: 102 claimed protein;494: PN: WO03060071SEQID: 487 unclaimed protein;540: PN: US20090175821 SEQID: 650 claimedprotein;Bradykinin-potentiating peptide 9a;Bradykinin-potentiating peptideBPP9a;Evasin 9a;L-Proline,1-[1-[N-[N2-[1-[N2-[1-[N-(5-oxo-L-prolyl)-L-tryptophyl]-L-prolyl]-L-arginyl]-L-prolyl]-L-glutaminyl]-L-isoleucyl]-L-prolyl]-;Pyroglu-Trp-Pro-Arg-Pro-Glu(NH2)-Ile-Pro-Pro;SQ 20881;Teprotide;pGlu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro;pGlu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro-OH;
Density:	1.54 g/cm³
Appearance:	white powder
PSA:	384.82000
LogP:	2.08690

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Specification

This chemical is called L-Proline, 5-oxo-L-prolyl-L-tryptophyl-L-prolyl-L-arginyl-L-prolyl-L-glutaminyl-L-isoleucyl-L-prolyl-, and it's also named as Bradykinin potentiator B, 2-L-tryptophan-3-de-L-leucine-4-de-L-proline-8-L-glutamine-. With the molecular formula of C₅₃H₇₆N₁₄O₁₂, its molecular weight is classification codes are Angiotensin-converting enzyme inhibitors; Antihypertensive agents; Cardiovascular Agents; Enzyme Inhibitors; Enzyme inhibitor [angiotensin-converting]. The CAS registry number of this chemical is 35115-60-7. Additionally, it's a synthetic nonapeptide (Pyr-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro) which is identical to the peptide from the venom of the snake, bothrops jararaca. It inhibits kininase II and angiotensin I and has been proposed as an antihypertensive agent.

Other characteristics of the L-Proline, 5-oxo-L-prolyl-L-tryptophyl-L-prolyl-L-arginyl-L-prolyl-L-glutaminyl-L-isoleucyl-L-prolyl- can be summarised as followings: (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: 26; (7)#H bond donors: 13; (8)#Freely Rotating Bonds: 24; (9)Polar Surface Area: 384.82 Å²; (10)Index of Refraction: 1.719; (11)Molar Refractivity: 281.77 cm³; (12)Molar Volume: 713.8 cm³; (13)Polarizability: 111.7×10^-24cm³; (14)Surface Tension: 70.2 dyne/cm; (15)Density: 1.54 g/cm³; (16)Enthalpy of Vaporization: kJ/mol; (17)Boiling Point: °C at 760 mmHg; (18)Vapour Pressure: mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C53H76N14O12/c1-3-29(2)43(51(77)66-25-9-16-39(66)50(76)67-26-10-17-40(67)52(78)79)63-45(71)34(18-20-41(54)68)60-46(72)37-14-7-23-64(37)48(74)35(13-6-22-57-53(55)56)61-47(73)38-15-8-24-65(38)49(75)36(62-44(70)33-19-21-42(69)59-33)27-30-28-58-32-12-5-4-11-31(30)32/h4-5,11-12,28-29,33-40,43,58H,3,6-10,13-27H2,1-2H3,(H2,54,68)(H,59,69)(H,60,72)(H,61,73)(H,62,70)(H,63,71)(H,78,79)(H4,55,56,57)
2.Smiles: c1(c2c(cccc2)[nH]c1)C[C@@H](C(N1[C@@H](C(N[C@@H](C(N2[C@@H](C(N[C@@H](C(N[C@@H](C(N3[C@@H](C(N4[C@@H](CCC4)C(O)=O)=O)CCC3)=O)[C@@H](CC)C)=O)CCC(N)=O)=O)CCC2)=O)CCCNC(N)=N)=O)CCC1)=O)NC([C@@H]1CCC(N1)=O)=O