CAS No.53046-98-3,Z-GLY-GLY-LEU-PNA Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53046-98-3
Name:	Z-GLY-GLY-LEU-PNA

Formula:	C₂₄H₂₉N₅O₇
Molecular Weight:	499.524
Synonyms:	Benzyloxycarbonyl-glycyl-glycyl-L-leucinep-nitroanilide;Benzyloxycarbonylglycylglycyl-L-leucyl-p-nitroanilide;Z-Gly-Gly-Leu-pNA;
Density:	1.297g/cm³
Boiling Point:	795.7 °C at 760 mmHg
Flash Point:	435 °C
PSA:	171.45000
LogP:	3.87570

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Specification

The L-Leucinamide,N-[(phenylmethoxy)carbonyl]glycylglycyl-N-(4-nitrophenyl)-, with CAS registry number 53046-98-3, belongs to the following product categories: (1)Enzyme Substrates; (2)Protease; (3)Protease Substrates; (4)ProteaseEnzyme Substrates; (5)Substrates by Enzyme. It has the systematic name of N-[(benzyloxy)carbonyl]glycyl-N-{(2S)-4-methyl-2-[(4-nitrophenyl)amino]pentanoyl}glycinamide. This chemical should be stored at the temperature of −20°C.

Physical properties of L-Leucinamide,N-[(phenylmethoxy)carbonyl]glycylglycyl-N-(4-nitrophenyl)-: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 46.32; (6)ACD/BCF (pH 7.4): 46.12; (7)ACD/KOC (pH 5.5): 541.99; (8)ACD/KOC (pH 7.4): 539.59; (9)#H bond acceptors: 12; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 136.29 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 130.42 cm³; (15)Molar Volume: 385 cm³; (16)Polarizability: 51.7×10^-24cm³; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.297 g/cm³; (19)Flash Point: 435 °C; (20)Enthalpy of Vaporization: 115.72 kJ/mol; (21)Boiling Point: 795.7 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-25 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)NCC(=O)NCC(=O)NC(=O)[C@@H](Nc2ccc(cc2)[N+]([O-])=O)CC(C)C
(2)InChI: InChI=1/C24H29N5O7/c1-16(2)12-20(27-18-8-10-19(11-9-18)29(34)35)23(32)28-22(31)14-25-21(30)13-26-24(33)36-15-17-6-4-3-5-7-17/h3-11,16,20,27H,12-15H2,1-2H3,(H,25,30)(H,26,33)(H,28,31,32)/t20-/m0/s1
(3)InChIKey: HFYACNWCMITZBZ-FQEVSTJZBE
(4)Std. InChI: InChI=1S/C24H29N5O7/c1-16(2)12-20(27-18-8-10-19(11-9-18)29(34)35)23(32)28-22(31)14-25-21(30)13-26-24(33)36-15-17-6-4-3-5-7-17/h3-11,16,20,27H,12-15H2,1-2H3,(H,25,30)(H,26,33)(H,28,31,32)/t20-/m0/s1
(5)Std. InChIKey: HFYACNWCMITZBZ-FQEVSTJZSA-N