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Name |
L-Proline,L-isoleucyl-L-prolyl- |
EINECS | N/A |
CAS No. | 26001-32-1 | Density | 1.248 g/cm3 |
PSA | 103.94000 | LogP | 1.00250 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H27N3O4 | Boiling Point | 572.556 °C at 760 mmHg |
Molecular Weight | 325.408 | Flash Point | 300.071 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(S)-1-[(S)-1-((2S,3S)-2-Amino-3-methyl-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carboxylic acid; |
Article Data | 2 |
The L-Proline,L-isoleucyl-L-prolyl-, with the CAS registry number of 26001-32-1, is also known as (S)-1-[(S)-1-((2S,3S)-2-Amino-3-methyl-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carboxylic acid. Its molecular formula is C16H27N3O4 and molecular weight is 325.4. What's more, its systematic name is L-Isoleucyl-L-prolyl-L-proline.
Physical properties about the L-Proline,L-isoleucyl-L-prolyl- are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 103.94 Å2; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 83.893 cm3; (9)Molar Volume: 260.814 cm3; (10)Surface Tension: 57.657 dyne/cm; (11)Density: 1.248 g/cm3; (12)Flash Point: 300.071 °C; (13)Enthalpy of Vaporization: 93.792 kJ/mol; (14)Boiling Point: 572.556 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@H]2N(C(=O)[C@H]1N(C(=O)[C@@H](N)[C@@H](C)CC)CCC1)CCC2
(2) InChI: InChI=1/C16H27N3O4/c1-3-10(2)13(17)15(21)18-8-4-6-11(18)14(20)19-9-5-7-12(19)16(22)23/h10-13H,3-9,17H2,1-2H3,(H,22,23)/t10-,11-,12-,13-/m0/s1
(3) InChIKey: FQYQMFCIJNWDQZ-CYDGBPFRBD