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17460-56-9

Basic Information
CAS No.: 17460-56-9
Name: Z-D-PHE-PRO-OH
Article Data: 19
Molecular Structure:
Molecular Structure of 17460-56-9 (Z-D-PHE-PRO-OH)
Formula: C22H24N2O5
Molecular Weight: 396.443
Synonyms: L-Proline,1-[N-[(phenylmethoxy)carbonyl]-D-phenylalanyl]-;Proline,1-(N-carboxy-3-phenyl-D-alanyl)-, N-benzyl ester, L- (8CI);Cbz-D-Phe-Pro-OH;N-[(benzyloxy)carbonyl]-D-phenylalanyl-L-proline;L-proline, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-;
Density: 1.292 g/cm3
Melting Point: 132-133 °C(Solv: ethyl ether (60-29-7))
Boiling Point: 669.586 °C at 760 mmHg
Flash Point: 358.753 °C
PSA: 95.94000
LogP: 2.92850
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Specification

The L-Proline,N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-, with the CAS registry number 17460-56-9, has the systematic name and IUPAC name of N-[(benzyloxy)carbonyl]-D-phenylalanyl-L-proline. It should be stored at -15°C. And the molecular formula of the chemical is C22H24N2O5.

The characteristics of L-Proline,N-[(phenylmethoxy)carbonyl]-D-phenylalanyl- are as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4):  ; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22; (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: 95.94 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 105.528 cm3; (15)Molar Volume: 306.876 cm3; (16)Polarizability: 41.835×10-24cm3; (17)Surface Tension: 59.431 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 358.753 °C; (20)Enthalpy of Vaporization: 103.372 kJ/mol; (21)Boiling Point: 669.586 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@H]3N(C(=O)[C@H](NC(=O)OCc1ccccc1)Cc2ccccc2)CCC3
(2)InChI: InChI=1/C22H24N2O5/c25-20(24-13-7-12-19(24)21(26)27)18(14-16-8-3-1-4-9-16)23-22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,28)(H,26,27)/t18-,19+/m1/s1
(3)InChIKey: SLQMUASKUOLVIO-MOPGFXCFBN