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38972-95-1

Basic Information
CAS No.: 38972-95-1
Name: Z-ILE-LEU-OH
Molecular Structure:
Molecular Structure of 38972-95-1 (Z-ILE-LEU-OH)
Formula: C20H30N2O5
Molecular Weight: 378.4626
Synonyms: L-Leucine,N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-;NSC 333751;
Density: 1.13g/cm3
Melting Point: 130-131℃
Boiling Point: 598 °C at 760 mmHg
Flash Point: 315.5 °C
PSA: 104.73000
LogP: 3.72480
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  • L-Leucine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- (9CI) cas  38972-95-1

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Specification

The L-Leucine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- (9CI), with CAS registry number 38972-95-1, belongs to the following product categories: (1)Dipeptides; (2)Dipeptides and Tripeptides; (3)Peptides. It has the systematic name of N-[(benzyloxy)carbonyl]isoleucylleucine. This chemical should be stored at the temperature of −20°C. And the chemical formula of this chemical is C20H30N2O5.

Physical properties of L-Leucine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- (9CI): (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 4.37; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 101.78 cm3; (15)Molar Volume: 334.6 cm3; (16)Polarizability: 40.35×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 315.5 °C; (20)Enthalpy of Vaporization: 93.66 kJ/mol; (21)Boiling Point: 598 °C at 760 mmHg; (22)Vapour Pressure: 3.77E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)CC(C)C
(2)InChI: InChI=1/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
(3)InChIKey: BSRAGXJNZJMFMY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C20H30N2O5/c1-5-14(4)17(18(23)21-16(19(24)25)11-13(2)3)22-20(26)27-12-15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3,(H,21,23)(H,22,26)(H,24,25)
(5)Std. InChIKey: BSRAGXJNZJMFMY-UHFFFAOYSA-N