CAS No.90614-49-6,H-VAL-PRO-LEU-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90614-49-6
Name:	H-VAL-PRO-LEU-OH

Formula:	C₁₆H₂₉N₃O₄
Molecular Weight:	327.4192
Synonyms:	L-Leucine,N-(1-L-valyl-L-prolyl)-;468: PN: WO2005081628 SEQID: 470 claimed protein;Diprotin B;
Density:	1.157 g/cm³
Boiling Point:	575.9 °C at 760 mmHg
Flash Point:	302.1 °C
Appearance:	White lyophilized powder.
PSA:	112.73000
LogP:	1.60530

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Specification

The L-Leucine,L-valyl-L-prolyl-, with CAS registry number 90614-49-6, belongs to the following product category: Antibiotics. It has the systematic name of L-valyl-L-prolyl-L-leucine. And its classification code is Drug / Therapeutic Agent. What's more, this chemical should be stored at the temperature of -15°C.

Physical properties of L-Leucine,L-valyl-L-prolyl-: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): -1.47; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 70.16 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 86.01 cm³; (15)Molar Volume: 282.9 cm³; (16)Polarizability: 34.09×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Enthalpy of Vaporization: 94.24 kJ/mol; (19)Vapour Pressure: 9.23E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)O)CC(C)C)[C@H]1N(C(=O)[C@@H](N)C(C)C)CCC1
(2)InChI: InChI=1/C16H29N3O4/c1-9(2)8-11(16(22)23)18-14(20)12-6-5-7-19(12)15(21)13(17)10(3)4/h9-13H,5-8,17H2,1-4H3,(H,18,20)(H,22,23)/t11-,12-,13-/m0/s1
(3)InChIKey: NHXZRXLFOBFMDM-AVGNSLFABB
(4)Std. InChI: InChI=1S/C16H29N3O4/c1-9(2)8-11(16(22)23)18-14(20)12-6-5-7-19(12)15(21)13(17)10(3)4/h9-13H,5-8,17H2,1-4H3,(H,18,20)(H,22,23)/t11-,12-,13-/m0/s1
(5)Std. InChIKey: NHXZRXLFOBFMDM-AVGNSLFASA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intravenous	> 250mg/kg (250mg/kg)		Journal of Antibiotics. Vol. 37, Pg. 422, 1984.