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64695-06-3

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Basic Information
CAS No.: 64695-06-3
Name: ARG-PRO-PRO-GLY-PHE-SER-PRO-LEU
Molecular Structure:
Molecular Structure of 64695-06-3 (ARG-PRO-PRO-GLY-PHE-SER-PRO-LEU)
Formula: C41H63N11O10
Molecular Weight: 870.019
Synonyms: Bradykinin,8-L-leucine-9-de-L-arginine-;193: PN: US20030176421 PAGE: 54-55 claimed protein;20: PN: WO2006079099 SEQID: 5 unclaimed sequence;46: PN: US20050009742 PAGE:19 claimed sequence;5: PN: US7605120 SEQID: 5 unclaimed sequence;6: PN:WO2005042027 SEQID: 5 unclaimed sequence;R 733;[Des-Arg9,Leu8]-Bradykinin;[Leu8-des-Arg9]-Bradykinin;
Density: 1.46 g/cm3
Appearance: White powder
PSA: 322.78000
LogP: 0.75480
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Specification

The CAS register number of 1-8-Bradykinin,8-L-leucine- is 64695-06-3. It also can be called as Bradykinin,8-L-leucine-9-de-L-arginine- and the systematic name about this chemical is N~5~-(diaminomethylidene)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-leucine. The molecular formula about this chemical is C41H63N11O10 and the molecular weight is 870.01. It belongs to the following product categorie which include peptide.

Physical properties about 1-8-Bradykinin,8-L-leucine- are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3.28; (4)ACD/LogD (pH 7.4): -2.77; (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: 1.672; (14)Molar Refractivity: 222.34 cm3; (15)Molar Volume: 593.2 cm3; (16)Polarizability: 88.14x10-24cm3; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.46 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)CC(C)C)[C@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]2N(C(=O)[C@H]1N(C(=O)[C@@H](N)CCC/N=C(\N)N)CCC1)CCC2)Cc3ccccc3)CO)CCC4
(2)InChI: InChI=1/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
(3)InChIKey: BGAPYBBQGHUQNM-YYGRSCHNBP
(4)Std. InChI: InChI=1S/C41H63N11O10/c1-24(2)20-28(40(61)62)48-36(57)31-14-8-17-50(31)38(59)29(23-53)49-34(55)27(21-25-10-4-3-5-11-25)47-33(54)22-46-35(56)30-13-7-18-51(30)39(60)32-15-9-19-52(32)37(58)26(42)12-6-16-45-41(43)44/h3-5,10-11,24,26-32,53H,6-9,12-23,42H2,1-2H3,(H,46,56)(H,47,54)(H,48,57)(H,49,55)(H,61,62)(H4,43,44,45)/t26-,27-,28-,29-,30-,31-,32-/m0/s1
(5)Std. InChIKey: BGAPYBBQGHUQNM-YYGRSCHNSA-N