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119758-47-3

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Basic Information
CAS No.: 119758-47-3
Name: Pedal peptide
Molecular Structure:
Molecular Structure of 119758-47-3 (Pedal peptide)
Formula: C79H122N14O20
Molecular Weight: 1587.9
Synonyms: Peptide;
Density: 1.252 g/cm3
Boiling Point: 1783.5 °C at 760 mmHg
Flash Point: 1032.4 °C
PSA: 0.00000
LogP: 0.00000
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    Henan Wentao Chemical Product Co.,Ltd is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds, which are widely used in the fields of prod

    The company is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds,

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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Specification

The Pedal peptide, with the CAS registry number of 119758-47-3, is also known as Peptide. This chemical's molecular formula is C79H122N14O20 and molecular weight is 1587.9. What's more, its systematic name is (2S)-2-[[(2S)-4-Amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[16-[2-[[(1S)-4-amino-1-[[(1S)-1-[[(1S)-2-hydroxy-1-[[(1S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]propyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidin-1-yl]-16-oxo-hexadecanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid.

Physical properties about the Pedal peptide Pedal peptide are: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 29.31; (6)ACD/BCF (pH 7.4): 3.58; (7)ACD/KOC (pH 5.5): 31.75; (8)ACD/KOC (pH 7.4): 3.87; (9)#H bond acceptors: 34; (10)#H bond donors: 20; (11)#Freely Rotating Bonds: 57; (12)Polar Surface Area: 548.57 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 416.2 cm3; (15)Molar Volume: 1268.2 cm3; (16)Surface Tension: 59.1 dyne/cm; (17)Density: 1.252 g/cm3; (18)Flash Point: 1032.4 °C; (19)Enthalpy of Vaporization: 300.39 kJ/mol; (20)Boiling Point: 1783.5 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCC(C)[C@@H](C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)C3CCCN3C(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc4ccccc4)C(=O)O
(2) InChI: InChI=1/C79H122N14O20/c1-9-47(6)66(75(107)92-68(49(8)96)77(109)87-56(39-46(4)5)71(103)89-59(79(112)113)41-51-43-82-53-31-26-25-30-52(51)53)90-69(101)54(35-36-62(80)97)84-74(106)61-32-27-37-93(61)65(100)34-24-19-17-15-13-11-10-12-14-16-18-23-33-64(99)83-60(44-94)73(105)91-67(48(7)95)76(108)86-55(38-45(2)3)70(102)85-57(42-63(81)98)72(104)88-58(78(110)111)40-50-28-21-20-22-29-50/h20-22,25-26,28-31,43,45-49,54-61,66-68,82,94-96H,9-19,23-24,27,32-42,44H2,1-8H3,(H2,80,97)(H2,81,98)(H,83,99)(H,84,106)(H,85,102)(H,86,108)(H,87,109)(H,88,104)(H,89,103)(H,90,101)(H,91,105)(H,92,107)(H,110,111)(H,112,113)/t47?,48?,49?,54-,55-,56-,57-,58-,59-,60-,61?,66-,67-,68-/m0/s1
(3) InChIKey: UQZSRXKGTRJJPI-JTGOSLMDBI