Basic information
- Name:
L-Proline,1-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]- (9CI)
- CAS No.:
3434-75-1
- Molecular Structure:
![Molecular Structure of 3434-75-1 (L-Proline,1-[N-[N-[(phenylmethoxy)carbonyl]glycyl]glycyl]- (9CI))](http://www.lookchem.com/300w/2010/069/3434-75-1.jpg)
- Formula:
- C17H21N3O6
- Molecular Weight:
- 363.37
- Synonyms:
- Proline,1-[N-(N-carboxyglycyl)glycyl]-, N-benzyl ester (6CI,7CI);Proline,1-[N-(N-carboxyglycyl)glycyl]-, N-benzyl ester, L- (8CI);(Benzyloxycarbonyl)glycylglycyl-L-proline;NSC 169158;
- Density:
- 1.354 g/cm3
- Boiling Point:
- 716.2 °C at 760 mmHg
- Flash Point:
- 386.9 °C
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Specification
This chemical is called N-[(benzyloxy)carbonyl]glycylglycylproline, and its CAS registry number is 3434-75-1. With the molecular formula of C17H21N3O6, its molecular weight is 363.37.
Other characteristics of the N-[(benzyloxy)carbonyl]glycylglycylproline can be summarised as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 96.46 Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 89.33 cm3; (13)Molar Volume: 268.2 cm3; (14)Polarizability: 35.41×10-24cm3; (15)Surface Tension: 62.3 dyne/cm; (16)Density: 1.354 g/cm3; (17)Flash Point: 386.9 °C; (18)Enthalpy of Vaporization: 109.88 kJ/mol; (19)Boiling Point: 716.2 °C at 760 mmHg; (20)Vapour Pressure: 1.59E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C2N(C(=O)CNC(=O)CNC(=O)OCc1ccccc1)CCC2
2.InChI: InChI=1/C17H21N3O6/c21-14(9-19-17(25)26-11-12-5-2-1-3-6-12)18-10-15(22)20-8-4-7-13(20)16(23)24/h1-3,5-6,13H,4,7-11H2,(H,18,21)(H,19,25)(H,23,24
3.InChIKey: XUTXYIPELQWGLP-UHFFFAOYAY