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88793-79-7

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Basic Information
CAS No.: 88793-79-7
Name: N-P-TOSYL-GLY-PRO-LYS P-NITROANILIDE ACETATE SALT
Molecular Structure:
Molecular Structure of 88793-79-7 (N-P-TOSYL-GLY-PRO-LYS P-NITROANILIDE ACETATE SALT)
Formula: C28H38N6O9S
Molecular Weight: 634.7
Synonyms: CHROMOZYM PL;CHROMOZYM TH;N-P-TOSYL-GLY-PRO-LYS P-NITROANILIDE ACETATE SALT;TOSYL-GLYCYL-PROLYL-ARGININE-4-NITRANILIDE ACETATE;TOSYL-GLYCYL-PROLYL-LYSINE-4-NITRANILIDE ACETATE;TOSYL-GLY-PRO-ARG-P-NITROANILIDE ACETATE;TOSYL-GLY-PRO-LYS-P-NITROANILIDE ACETATE;N-p-Tosyl-Gly-Pro-Lys 4-nitroanilide acetate salt
EINECS: 289-446-7
Boiling Point: 966.2 °C at 760 mmHg
Flash Point: 538.1 °C
Solubility: ethanol: 50 mg/mL
Safety: 22-24/25
PSA: 242.20000
LogP: 4.61290
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Specification

The N-(p-Nitrophenyl)-N-(p-tolylsulphonyl)glycyl-L-prolyl-L-lysinamide, monoacetate, with CAS registry number 88793-79-7, has the systematic name of acetic acid; (2S)-N-[(1S)-5-amino-1-carbamoyl-pentyl]-1-[2-[(4-nitrophenyl)-(p-tolylsulfonyl)amino]acetyl]pyrrolidine-2-carboxamide. This chemical should be stored at the temperature of −20°C. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of N-(p-Nitrophenyl)-N-(p-tolylsulphonyl)glycyl-L-prolyl-L-lysinamide, monoacetate: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 15; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 247.4 Å2; (7)Enthalpy of Vaporization: 147.42 kJ/mol; (8)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H](CCCCN)C(N)=O)[C@@H]3CCCN3C(=O)CN(c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c2ccc(C)cc2.CC(O)=O
(2)InChI: InChI=1/C26H34N6O7S.C2H4O2/c1-18-7-13-21(14-8-18)40(38,39)31(19-9-11-20(12-10-19)32(36)37)17-24(33)30-16-4-6-23(30)26(35)29-22(25(28)34)5-2-3-15-27;1-2(3)4/h7-14,22-23H,2-6,15-17,27H2,1H3,(H2,28,34)(H,29,35);1H3,(H,3,4)/t22-,23-;/m0./s1
(3)InChIKey: XBTWIAVOYHVACN-SJEIDVEUBO
(4)Std. InChI: InChI=1S/C26H34N6O7S.C2H4O2/c1-18-7-13-21(14-8-18)40(38,39)31(19-9-11-20(12-10-19)32(36)37)17-24(33)30-16-4-6-23(30)26(35)29-22(25(28)34)5-2-3-15-27;1-2(3)4/h7-14,22-23H,2-6,15-17,27H2,1H3,(H2,28,34)(H,29,35);1H3,(H,3,4)/t22-,23-;/m0./s1
(5)Std. InChIKey: XBTWIAVOYHVACN-SJEIDVEUSA-N