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L-Proline,L-isoleucyl-L-prolyl-

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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 Molecular Structure of 26001-32-1 (H-ILE-PRO-PRO-OH) 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

L-Proline,L-isoleucyl-L-prolyl- Specification

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

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