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38136-75-3

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Basic Information
CAS No.: 38136-75-3
Name: H-TRP-PRO-OH
Article Data: 3
Molecular Structure:
Molecular Structure of 38136-75-3 (H-TRP-PRO-OH)
Formula: C16H19N3O3
Molecular Weight: 301.345
Synonyms: L-Proline,1-L-tryptophyl-;32: PN: WO03052099 PAGE: 84 claimed protein;H-Trp-Pro-OH;
EINECS: 917-507-6
Density: 1.389g/cm3
Boiling Point: 626.426 °C at 760 mmHg
Flash Point: 332.651 °C
PSA: 99.42000
LogP: 1.75150
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Specification

The L-Proline,L-tryptophyl-, with CAS registry number 38136-75-3, has the systematic name of L-tryptophyl-L-proline. Besides this, it is also called (S)-1-((S)-2-amino-3-(1H-indol-3-yl)propanoyl)pyrrolidine-2-carboxylic acid. This chemical should be stored at the temperature of -15°C. And the chemical formula of this chemical is C16H19N3O3.

Physical properties of L-Proline,L-tryptophyl-: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 99.42 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 82.216 cm3; (15)Molar Volume: 216.978 cm3; (16)Polarizability: 32.593×10-24cm3; (17)Surface Tension: 75.831 dyne/cm; (18)Density: 1.389 g/cm3; (19)Flash Point: 332.651 °C; (20)Enthalpy of Vaporization: 97.471 kJ/mol; (21)Boiling Point: 626.426 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]3N(C(=O)[C@@H](N)Cc2c1ccccc1nc2)CCC3
(2)InChI: InChI=1/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)/t12-,14-/m0/s1
(3)InChIKey: DXYQIGZZWYBXSD-JSGCOSHPBG
(4)Std. InChI: InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)/t12-,14-/m0/s1
(5)Std. InChIKey: DXYQIGZZWYBXSD-JSGCOSHPSA-N