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| CAS No.: | 24587-37-9 |
|---|---|
| Name: | H-VAL-TRP-OH |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C16H21N3O3 |
| Molecular Weight: | 303.361 |
| Synonyms: | L-Tryptophan,N-L-valyl-;Tryptophan, N-L-valyl-, L- (8CI);117: PN: WO2006024694 SEQID: 117claimed protein;L-Valyl-L-tryptophan;Valyltryptophan; |
| Density: | 1.268 g/cm3 |
| Boiling Point: | 604.8 °C at 760 mmHg |
| Flash Point: | 319.6 °C |
| PSA: | 108.21000 |
| LogP: | 2.35430 |
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Specification
The L-Valyl-L-tyrosine, with cas registry number 24587-37-9, belongs to the following product categories: Amino Acid Derivatives. It has the systematic name of L-valyl-L-tryptophan. Besides this, it is also called N-valyltryptophan. What's more, this chemical should store at the temperature of −20°C.
Physical properties about this chemical are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -1.09; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 54.78 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 84.47 cm3; (15)Molar Volume: 239 cm3; (16)Polarizability: 33.48×10-24cm3; (17)Surface Tension: 58.7 dyne/cm; (18)Enthalpy of Vaporization: 94.57 kJ/mol; (19)Vapour Pressure: 1.76E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N)C(C)C)Cc2c1ccccc1nc2
(2)InChI: InChI=1/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
(3)InChIKey: LZDNBBYBDGBADK-KBPBESRZBT
(4)Std. InChI: InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
(5)Std. InChIKey: LZDNBBYBDGBADK-KBPBESRZSA-N