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24587-41-5

Basic Information
CAS No.: 24587-41-5
Name: L-Tryptophan,L-phenylalanyl-
Molecular Structure:
Molecular Structure of 24587-41-5 (L-Tryptophan,L-phenylalanyl-)
Formula: C20H21N3O3
Molecular Weight: 351.4
Synonyms: L-Tryptophan,N-L-phenylalanyl-;Tryptophan, N-(3-phenyl-L-alanyl)-, L- (7CI,8CI);L-Phenylalanyl-L-tryptophan;Phenylalanyltryptophan;
EINECS:
Density: 1.319 g/cm3
Melting Point:
Boiling Point: 688.3 °C at 760 mmHg
Flash Point: 370.1 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 108.21000
LogP: 2.94100
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Specification

The CAS register number of L-Tryptophan,L-phenylalanyl- is 24587-41-5. It also can be called as Phenylalanyltryptophan and the IUPAC name about this chemical is (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid. The molecular formula about this chemical is C20H21N3O3 and the molecular weight is 351.4. The storage temperature of this chemical is -15 °C.

Physical properties about L-Tryptophan,L-phenylalanyl- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.55; (8)ACD/KOC (pH 7.4): 1.03; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 54.78 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 99.73 cm3; (15)Molar Volume: 266.4 cm3; (16)Polarizability: 39.53x10-24cm3; (17)Surface Tension: 65.2 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 370.1 °C; (20)Enthalpy of Vaporization: 105.97 kJ/mol; (21)Boiling Point: 688.3 °C at 760 mmHg; (22)Vapour Pressure: 6.85E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)Cc3c2ccccc2nc3
(2)InChI: InChI=1/C20H21N3O3/c21-16(10-13-6-2-1-3-7-13)19(24)23-18(20(25)26)11-14-12-22-17-9-5-4-8-15(14)17/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18-/m0/s1
(3)InChIKey: JMCOUWKXLXDERB-WMZOPIPTBL
(4)Std. InChI: InChI=1S/C20H21N3O3/c21-16(10-13-6-2-1-3-7-13)19(24)23-18(20(25)26)11-14-12-22-17-9-5-4-8-15(14)17/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18-/m0/s1
(5)Std. InChIKey: JMCOUWKXLXDERB-WMZOPIPTSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 300mg/kg (300mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2901667,