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17350-17-3

Basic Information
CAS No.: 17350-17-3
Name: Z-PRO-PHE-OH
Article Data: 12
Molecular Structure:
Molecular Structure of 17350-17-3 (Z-PRO-PHE-OH)
Formula: C22H24N2O5
Molecular Weight: 396.443
Synonyms: 1-Pyrrolidinecarboxylicacid, 2-[(a-carboxyphenethyl)carbamoyl]-,1-benzyl ester (7CI);1-Pyrrolidinecarboxylic acid, 2-[(a-carboxyphenethyl)carbamoyl]-,1-benzyl ester, stereoisomer (8CI);1-Pyrrolidinecarboxylic acid, 2-[(a-carboxyphenethyl)carbamoyl]-,benzyl ester (6CI);L-Phenylalanine, N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-;Benzyloxycarbonyl-L-prolyl-L-phenylalanine;N-(Benzyloxycarbonyl)-L-prolyl-L-phenylalanine;N-Carbobenzoxy-L-prolyl-L-phenylalanine;NSC 334179;
EINECS: 241-374-7
Density: 1.291 g/cm3
Boiling Point: 653.6 °C at 760 mmHg
Flash Point: 349.1 °C
PSA: 95.94000
LogP: 2.92850
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Specification

The L-Phenylalanine,1-[(phenylmethoxy)carbonyl]-L-prolyl-, with the CAS registry number 17350-17-3 and EINECS registry number 241-374-7, has the systematic name of 1-[(benzyloxy)carbonyl]prolylphenylalanine. It belongs to the following product categories: Amino Acid Derivatives; Dipeptides; Dipeptides and Tripeptides; Peptides. And the molecular formula of the chemical is C22H24N2O5. What's more, it should be stored at -15°C.

The characteristics of L-Phenylalanine,1-[(phenylmethoxy)carbonyl]-L-prolyl- are as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): -1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.66; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 105.52 cm3; (15)Molar Volume: 306.8 cm3; (16)Polarizability: 41.83×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 349.1 °C; (20)Enthalpy of Vaporization: 101.17 kJ/mol; (21)Boiling Point: 653.6 °C at 760 mmHg; (22)Vapour Pressure: 5.68E-18 mmHg at 25°C. 
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NC(C(=O)O)Cc1ccccc1)C3N(C(=O)OCc2ccccc2)CCC3
(2)InChI: InChI=1/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)
(3)InChIKey: GMUYSWQSSRROPG-UHFFFAOYAS