Name: H-TRP-ALA-OH
SKU: 24046-71-7

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Basic Information

Molecular Structure:
CAS No.:	24046-71-7
Name:	H-TRP-ALA-OH
Article Data:	2

Formula:	C₁₄H₁₇N₃O₃
Molecular Weight:	275.307
Synonyms:	Alanine, N-L-tryptophyl- (⁷CI);Alanine, N-L-tryptophyl-, L-(⁸CI);L-Alanine, N-L-tryptophyl-;1881: PN: EP2071334 SEQID: 1984 claimed protein;1881: PN: WO2009077864 SEQID:1984 claimed protein;L-Tryptophanyl-L-alanine;L-Tryptophyl-L-alanine;NSC 97949;Tryptophanylalanine;Tryptophylalanine;
Density:	1.338 g/cm³
Boiling Point:	629.8 °C at 760 mmHg
Flash Point:	334.7 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	108.21000
LogP:	1.71820

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Specification

This chemical is called L-Alanine, L-tryptophyl-, and its systematic name is tryptophylalanine. With the molecular formula of C₁₄H₁₇N₃O₃, its molecular weight is 275.3. The CAS registry number of this chemical is 24046-71-7. Additionally, its product categorie is Amino Acid Derivatives. In addition, this chemical should be sealed at the temperature of -15 °C.

Other characteristics of the chemical can be summarised as followings:(1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.94; (4)ACD/LogD (pH 7.4): -2.03; (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: 6; (12)Polar Surface Area: 54.78 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 75.25 cm³; (15)Molar Volume: 205.7 cm³; (16)Polarizability: 29.83×10^-24cm³; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.338 g/cm³; (19)Flash Point: 334.7 °C; (20)Enthalpy of Vaporization: 97.92 kJ/mol; (21)Boiling Point: 629.8 °C at 760 mmHg; (22)Vapour Pressure: 9.98E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(NC(=O)C(N)Cc2c1ccccc1nc2)C
2.InChI: InChI=1/C14H17N3O3/c1-8(14(19)20)17-13(18)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7-8,11,16H,6,15H2,1H3,(H,17,18)(H,19,20)
3.InChIKey: OHGNSVACHBZKSS-UHFFFAOYAL
4.Std. InChI: InChI=1S/C14H17N3O3/c1-8(14(19)20)17-13(18)11(15)6-9-7-16-12-5-3-2-4-10(9)12/h2-5,7-8,11,16H,6,15H2,1H3,(H,17,18)(H,19,20)
5.Std. InChIKey: OHGNSVACHBZKSS-UHFFFAOYSA-N