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83798-91-8

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Basic Information
CAS No.: 83798-91-8
Name: Z-GLY-GLY-TRP-OH
Molecular Structure:
Molecular Structure of 83798-91-8 (Z-GLY-GLY-TRP-OH)
Formula: C23H24N4O6
Molecular Weight: 452.467
Synonyms: 3-(1H-indol-3-yl)-2-[[2-[(2-phenylmethoxycarbonylaminoacetyl)amino]acetyl]amino]propanoic acid;
Density: 1.37 g/cm3
Boiling Point: 868.5 °C at 760 mmHg
Flash Point: 479.1 °C
PSA: 149.62000
LogP: 2.49510
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Specification

The N-[(Benzyloxy)carbonyl]glycylglycyltryptophan is an organic compound with the formula C23H24N4O6. The IUPAC name of this chemical is 3-(1H-Indol-3-yl)-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid. The CAS registry number of this chemical is 83798-91-8. Besides, its molecular weight is 452.4599.

Physical properties about N-[(Benzyloxy)carbonyl]glycylglycyltryptophan are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 101.39 Å2; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 119.13 cm3; (9)Molar Volume: 330.1 cm3; (10)Polarizability: 47.22×10-24 cm3; (11)Surface Tension: 64.5 dyne/cm; (12)Density: 1.37 g/cm3; (13)Flash Point: 479.1 °C; (14)Enthalpy of Vaporization: 132.24 kJ/mol; (15)Boiling Point: 868.5 °C at 760 mmHg; (16)Vapour Pressure: 3.28E-32 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)NCC(=O)NCC(=O)NC(C(=O)O)Cc3c2ccccc2nc3
(2)InChI: InChI=1/C23H24N4O6/c28-20(12-26-23(32)33-14-15-6-2-1-3-7-15)25-13-21(29)27-19(22(30)31)10-16-11-24-18-9-5-4-8-17(16)18/h1-9,11,19,24H,10,12-14H2,(H,25,28)(H,26,32)(H,27,29)(H,30,31)
(3)InChIKey: BAUFIASSRJGSBQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C23H24N4O6/c28-20(12-26-23(32)33-14-15-6-2-1-3-7-15)25-13-21(29)27-19(22(30)31)10-16-11-24-18-9-5-4-8-17(16)18/h1-9,11,19,24H,10,12-14H2,(H,25,28)(H,26,32)(H,27,29)(H,30,31)
(5)Std. InChIKey: BAUFIASSRJGSBQ-UHFFFAOYSA-N