L-Alaninamide,N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)- supplier

Name
SUC-ALA-ALA-ALA-PNA
EINECS 257-823-5
CAS No. 52299-14-6
Article Data3
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point
Formula C₁₉H₂₅N₅O₈
Boiling Point 923.5 °C at 760 mmHg
Molecular Weight 451.436
Flash Point 512.3 °C
Transport Information
Appearance White Solid.
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Carboxypropionyl-L-alanyl-L-alanyl-L-alaninep-nitroanilide;43: PN: CN101457218 PAGE: 2 claimed sequence;Chromozym ELA;N-Succinyl-L-alanyl-L-alanyl-L-alanine p-nitroanilide;Succinyl-L-alanyl-L-alanyl-L-alanine 4-nitroanilide;Succinyl-L-alanyl-L-alanyl-L-alanine p-nitroanilide;Succinyl-L-alanyl-L-alanyl-L-alanyl p-nitroanilide;Succinyl-L-trialaninep-nitroanilide;
PSA 199.52000
LogP 1.68110

L-Alaninamide,N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)- Specification

The L-Alaninamide,N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)-, with CAS registry number 52299-14-6, has the systematic name of N-(3-carboxypropanoyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)-L-alaninamide. Besides this, it is also called Suc-ala-ala-ala-pna. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₁₉H₂₅N₅O₈. What's more, its EINECS is 257-823-5.

Physical properties of L-Alaninamide,N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)-: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.3; (4)ACD/LogD (pH 7.4): -2.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 153.36 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 110.34 cm³; (15)Molar Volume: 329.4 cm³; (16)Polarizability: 43.74×10^-24cm³; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 512.3 °C; (20)Enthalpy of Vaporization: 140.7 kJ/mol; (21)Boiling Point: 923.5 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)C)C)C
(2)InChI: InChI=1/C19H25N5O8/c1-10(20-15(25)8-9-16(26)27)17(28)21-11(2)18(29)22-12(3)19(30)23-13-4-6-14(7-5-13)24(31)32/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,28)(H,22,29)(H,23,30)(H,26,27)/t10-,11-,12-/m0/s1
(3)InChIKey: GVUGADOWXGKRAE-SRVKXCTJBV
(4)Std. InChI: InChI=1S/C19H25N5O8/c1-10(20-15(25)8-9-16(26)27)17(28)21-11(2)18(29)22-12(3)19(30)23-13-4-6-14(7-5-13)24(31)32/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,28)(H,22,29)(H,23,30)(H,26,27)/t10-,11-,12-/m0/s1
(5)Std. InChIKey: GVUGADOWXGKRAE-SRVKXCTJSA-N

Product Name

SUC-ALA-ALA-ALA-PNA

L-Alaninamide,N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)- Specification

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