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Cas Database |
| Name |
L-Phenylalanine,1-[(phenylmethoxy)carbonyl]-L-prolyl- |
EINECS | 241-374-7 |
| CAS No. | 17350-17-3 | Density | 1.291 g/cm3 |
| PSA | 95.94000 | LogP | 2.92850 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H24N2O5 | Boiling Point | 653.6 °C at 760 mmHg |
| Molecular Weight | 396.443 | Flash Point | 349.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Pyrrolidinecarboxylicacid, 2-[(a-carboxyphenethyl)carbamoyl]-,1-benzyl ester (7CI);1-Pyrrolidinecarboxylic acid, 2-[(a-carboxyphenethyl)carbamoyl]-,1-benzyl ester, stereoisomer (8CI);1-Pyrrolidinecarboxylic acid, 2-[(a-carboxyphenethyl)carbamoyl]-,benzyl ester (6CI);L-Phenylalanine, N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-;Benzyloxycarbonyl-L-prolyl-L-phenylalanine;N-(Benzyloxycarbonyl)-L-prolyl-L-phenylalanine;N-Carbobenzoxy-L-prolyl-L-phenylalanine;NSC 334179; |
Article Data | 12 |
L-Phenylalanine,1-[(phenylmethoxy)carbonyl]-L-prolyl- Specification
The L-Phenylalanine,1-[(phenylmethoxy)carbonyl]-L-prolyl-, with the CAS registry number 17350-17-3 and EINECS registry number 241-374-7, has the systematic name of 1-[(benzyloxy)carbonyl]prolylphenylalanine. It belongs to the following product categories: Amino Acid Derivatives; Dipeptides; Dipeptides and Tripeptides; Peptides. And the molecular formula of the chemical is C22H24N2O5. What's more, it should be stored at -15°C.
The characteristics of L-Phenylalanine,1-[(phenylmethoxy)carbonyl]-L-prolyl- are as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): -1.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.66; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 76.15 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 105.52 cm3; (15)Molar Volume: 306.8 cm3; (16)Polarizability: 41.83×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 349.1 °C; (20)Enthalpy of Vaporization: 101.17 kJ/mol; (21)Boiling Point: 653.6 °C at 760 mmHg; (22)Vapour Pressure: 5.68E-18 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NC(C(=O)O)Cc1ccccc1)C3N(C(=O)OCc2ccccc2)CCC3
(2)InChI: InChI=1/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)
(3)InChIKey: GMUYSWQSSRROPG-UHFFFAOYAS
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