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Acetyl-valyl-alanyl-aspartal

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Name

Acetyl-valyl-alanyl-aspartal

EINECS N/A
CAS No. 147837-52-3 Density 1.215 g/cm3
PSA 141.67000 LogP -0.01710
Solubility N/A Melting Point N/A
Formula C14H23N3O6 Boiling Point 698.2 °C at 760 mmHg
Molecular Weight 329.353 Flash Point 376 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 147837-52-3 (AC-VAD-CHO) Hazard Symbols N/A
Synonyms

L-Alaninamide,N-acetyl-L-valyl-N-(2-carboxy-1-formylethyl)-, (S)-;Ac-Val-Ala-Asp-al;

 

Acetyl-valyl-alanyl-aspartal Specification

The Acetyl-valyl-alanyl-aspartal, its cas register number is 147837-52-3. It also can be called as N-Acetyl-Val-Ala-Asp-al and the IUPAC name about this chemical is (3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]propanoyl] amino]-4-oxobutanoic acid. It belongs to the following product categories, such as Dipeptides and Tripeptides, Peptides, Tripeptides and so on. If you want to store this chemical, the temperature must below -20°C. In addition, WGK Germany is 3.

Physical properties about Acetyl-valyl-alanyl-aspartal are: (1)#H bond acceptors: 9; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 9; (4) Polar Surface Area: 104.3Å2; (5)Index of Refraction: 1.497; (6)Molar Refractivity: 79.36 cm3; (7)Molar Volume: 270.8 cm3; (8)Polarizability: 31.46x10-24cm3; (9)Surface Tension: 46.7 dyne/cm; (10)Enthalpy of Vaporization: 111.38 kJ/mol; (11)Vapour Pressure: 2.43E-21 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C=O)NC(=O)C
(2)Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](C(C)C)NC(=O)C
(3)InChI: InChI=1S/C14H23N3O6/c1-7(2)12(16-9(4)19)14(23)15-8(3)13(22)17-10(6-18)5-11(20)21/h6-8,10,12H,5H2,1-4H3,(H,15,23)(H,16,19)(H,17,22)(H,20,21)/t8-,10-,12-/m0/s1 
(4)InChIKey: BGFYQRSQECIBIB-PEXQALLHSA-N

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