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42001-60-5

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Basic Information
CAS No.: 42001-60-5
Name: N-Benzyloxycarbonyl-L-lysinyl-L-proline
Article Data: 1
Molecular Structure:
Molecular Structure of 42001-60-5 (N-Benzyloxycarbonyl-L-lysinyl-L-proline)
Formula: C19H27N3O5
Molecular Weight: 377.43
Synonyms: L-Proline,1-[N6-[(phenylmethoxy)carbonyl]-L-lysyl]-;
Density: 1.260g/cm3
Boiling Point: 645.3 °C at 760 mmHg
Flash Point: 344.1 °C
PSA: 121.96000
LogP: 2.51510
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Specification

The N-Benzyloxycarbonyl-L-lysinyl-L-proline, with cas registry number 42001-60-5, has the systematic name of N6-[(benzyloxy)carbonyl]-D-lysyl-L-proline. Besides this, it is also called L-proline, N6-[(phenylmethoxy)carbonyl]-D-lysyl-.

Physical properties about this chemical are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 121.96 Å2; (7)Index of Refraction: 1.571; (8)Molar Refractivity: 98.47 cm3; (9)Molar Volume: 299.3 cm3; (10)Polarizability: 39.03×10-24cm3; (11)Surface Tension: 58.5 dyne/cm; (12)Enthalpy of Vaporization: 100.04 kJ/mol; (13)Vapour Pressure: 1.56E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)NCCCCC(C(=O)N2CCCC2C(=O)O)N
(2)InChI: InChI=1/C19H27N3O5/c20-15(17(23)22-12-6-10-16(22)18(24)25)9-4-5-11-21-19(26)27-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13,20H2,(H,21,26)(H,24,25)/t15-,16+/m1/s1
(3)InChIKey: KHOQQEDOXPZUTM-CVEARBPZBD
(4)Std. InChI: InChI=1S/C19H27N3O5/c20-15(17(23)22-12-6-10-16(22)18(24)25)9-4-5-11-21-19(26)27-13-14-7-2-1-3-8-14/h1-3,7-8,15-16H,4-6,9-13,20H2,(H,21,26)(H,24,25)/t15-,16+/m1/s1
(5)Std. InChIKey: KHOQQEDOXPZUTM-CVEARBPZSA-N