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| CAS No.: | 17460-56-9 |
|---|---|
| Name: | Z-D-PHE-PRO-OH |
| Molecular Structure: | |
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| 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