CAS No.20368-24-5,LEU-LEU-TYR Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20368-24-5
Name:	LEU-LEU-TYR
Article Data:	2

Formula:	C₂₁H₃₃N₃O₅
Molecular Weight:	407.51
Synonyms:	L-Tyrosine,N-(N-L-leucyl-L-leucyl)-;Tyrosine, N-(N-L-leucyl-L-leucyl)-, L- (8CI);2: PN:WO2009046832 PAGE: 100 claimed protein;L-Leucyl-L-leucyl-L-tyrosine;Leucylleucyltyrosine;H-Leu-Leu-Tyr-OH;
Density:	1.173 g/cm³
Boiling Point:	695.2 °C at 760 mmHg
Flash Point:	374.2 °C
PSA:	141.75000
LogP:	2.89050

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Specification

The CAS register number of LEU-LEU-TYR is 20368-24-5. It also can be called as Leucyl-leucyl-tyrosine and the IUPAC name about this chemical is (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid. The molecular formula about this chemical is C₂₁H₃₃N₃O₅ and the molecular weight is 407.5.

Physical properties about LEU-LEU-TYR are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.95; (8)ACD/KOC (pH 7.4): 2.16; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 79.39Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 110.05 cm³; (15)Molar Volume: 347.3 cm³; (16)Polarizability: 43.62x10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Flash Point: 374.2 °C; (19)Enthalpy of Vaporization: 106.93 kJ/mol; (20)Boiling Point: 695.2 °C at 760 mmHg; (21)Vapour Pressure: 2.75E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(O)cc1)CC(C)C)[C@@H](N)CC(C)C
(2)InChI: InChI=1/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
(3)InChIKey: UCNNZELZXFXXJQ-BZSNNMDCBT
(4)Std. InChI: InChI=1S/C21H33N3O5/c1-12(2)9-16(22)19(26)23-17(10-13(3)4)20(27)24-18(21(28)29)11-14-5-7-15(25)8-6-14/h5-8,12-13,16-18,25H,9-11,22H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
(5)Std. InChIKey: UCNNZELZXFXXJQ-BZSNNMDCSA-N