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