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| CAS No.: | 64963-01-5 |
|---|---|
| Name: | TYR-D-ALA-GLY-PHE-LEU |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C29H39N5O7 |
| Molecular Weight: | 569.658 |
| Synonyms: | [DAla2], Leu-Enkephalin;L-Leucine,N-[N-[N-(N-L-tyrosyl-D-alanyl)glycyl]-L-phenylalanyl]-;1-5-(D-Ala2)-dynorphin;2-D-Alanine-5-leucine-enkephalin;H-Tyr-D-Ala-Gly-Phe-Leu-OH;NSC 374895;Tyr-D-Ala-Gly-Phe-Leu;Tyr-D-Ala-Gly-Phe-Leu-OH;Tyrosyl-D-alanylglycylphenylalanylleucine;[D-Ala2]leucine-enkephalin; |
| EINECS: | 265-291-0 |
| Density: | 1.257 g/cm3 |
| Melting Point: | 160-163.5 °C |
| Boiling Point: | 991.9 °C at 760 mmHg |
| Flash Point: | 553.7 °C |
| PSA: | 199.95000 |
| LogP: | 2.48980 |
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Specification
The IUPAC name of L-Leucine,L-tyrosyl-D-alanylglycyl-L-phenylalanyl- is 2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid. With the CAS registry number 64963-01-5, it is also named as N-(N-(N-(N-L-Tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)-L-leucine. The product should be stored at -20 °C. In addition, its molecular formula is C29H39N5O7 and its molecular weight is 569.65.
The other characteristics of L-Leucine,L-tyrosyl-D-alanylglycyl-L-phenylalanyl- can be summarized as: (1)EINECS: 265-291-0; (2)ACD/LogP: 2.42; (3)# of Rule of 5 Violations: 3; (4)ACD/LogD (pH 5.5): -0.08; (5)ACD/LogD (pH 7.4): -0.27; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1.54; (9)ACD/KOC (pH 7.4): 1.01; (10)#H bond acceptors: 12; (11)#H bond donors: 8; (12)#Freely Rotating Bonds: 17; (13)Polar Surface Area: 120.01 Å2; (14)Index of Refraction: 1.581; (15)Molar Refractivity: 151.05 cm3; (16)Molar Volume: 452.9 cm3; (17)Polarizability: 59.88×10-24cm3; (18)Surface Tension: 55.7 dyne/cm; (19)Density: 1.257 g/cm3; (20)Flash Point: 553.7 °C; (21)Enthalpy of Vaporization: 151.52 kJ/mol; (22)Boiling Point: 991.9 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C)Cc2ccccc2)CC(C)C
(2)InChI: InChI=1/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)
(3)InChIKey: ZHUJMSMQIPIPTF-UHFFFAOYAO