L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- supplier

Name
Z-ILE-PHE-OH
EINECS 236-242-0
CAS No. 13254-07-4
Article Data6
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point 166-167 °C
Formula C₂₃H₂₈N₂O₅
Boiling Point 654.9 °C at 760 mmHg
Molecular Weight 412.486
Flash Point 349.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-(N-carboxy-L-isoleucyl)-3-phenyl-, N-benzyl ester (7CI);L-Phenylalanine,N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-;Carbobenzoxy-L-isoleucyl-L-phenylalanine;N-Benzyloxycarbonyl-L-isoleucyl-L-phenylalanine;N-Carbobenzyloxy-L-isoleucyl-L-phenylalanine;Z-lle-Phe-OH;
PSA 104.73000
LogP 3.92140

L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- Specification

The L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl-, with CAS registry number 13254-07-4, has the systematic name of N-[(benzyloxy)carbonyl]-L-isoleucyl-L-phenylalanine. Besides this, it is also called Z-Ile-phe-oh. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C₂₃H₂₈N₂O₅.

Physical properties of L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl-: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 7.21; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.25; (8)ACD/KOC (pH 7.4): 1.55; (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: 1.564; (14)Molar Refractivity: 112.42 cm³; (15)Molar Volume: 345.5 cm³; (16)Polarizability: 44.56×10^-24cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.193 g/cm³; (19)Flash Point: 349.9 °C; (20)Enthalpy of Vaporization: 101.36 kJ/mol; (21)Boiling Point: 654.9 °C at 760 mmHg; (22)Vapour Pressure: 4.78E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC)Cc2ccccc2
(2)InChI: InChI=1/C23H28N2O5/c1-3-16(2)20(25-23(29)30-15-18-12-8-5-9-13-18)21(26)24-19(22(27)28)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t16-,19-,20-/m0/s1
(3)InChIKey: ARWIWKBRNYMFJM-VDGAXYAQBD
(4)Std. InChI: InChI=1S/C23H28N2O5/c1-3-16(2)20(25-23(29)30-15-18-12-8-5-9-13-18)21(26)24-19(22(27)28)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t16-,19-,20-/m0/s1
(5)Std. InChIKey: ARWIWKBRNYMFJM-VDGAXYAQSA-N

Product Name

Z-ILE-PHE-OH

L-Phenylalanine,N-[(phenylmethoxy)carbonyl]-L-isoleucyl- Specification

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