CAS No.69242-40-6,Glycylglycyl-L-isoleucine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69242-40-6
Name:	Glycylglycyl-L-isoleucine

Formula:	C₁₀H₁₉N₃O₄
Molecular Weight:	245.28
Synonyms:	L-Isoleucine,N-(N-glycylglycyl)-;1428: PN: EP2071334 SEQID: 1511 claimed protein;1428: PN:WO2009077864 SEQID: 1511 claimed protein;Glycylglycyl-L-isoleucine;H-Gly-Gly-Ile-OH;
Density:	1.199 g/cm³
Boiling Point:	573.7 °C at 760 mmHg
Flash Point:	300.8 °C
PSA:	121.52000
LogP:	0.15890

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Specification

The L-Isoleucine,glycylglycyl-, with the CAS registry number 69242-40-6, is also known as Glycylglycyl-L-isoleucine. This chemical's molecular formula is C₁₀H₁₉N₃O₄ and molecular weight is 245.28. What's more, its IUPAC name is 2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid and systematic name is called L-Isoleucine, glycylglycyl-.

Physical properties about L-Isoleucine,glycylglycyl- are: (1) # of Rule of 5 Violations: 1; (2) ACD/BCF (pH 5.5): 1; (3) ACD/BCF (pH 7.4): 1; (4) ACD/KOC (pH 5.5): 1; (5) ACD/KOC (pH 7.4): 1; (6) #H bond acceptors: 7; (7) #H bond donors: 5; (8) #Freely Rotating Bonds: 8; (9) Polar Surface Area: 121.52 Å²; (10) Index of Refraction: 1.504; (11) Molar Refractivity: 60.64 cm³; (12) Molar Volume: 204.5 cm³; (13) Surface Tension: 49.1 dyne/cm; (14) Density: 1.199 g/cm³; (15) Flash Point: 300.8 °C; (16) Enthalpy of Vaporization: 93.95 kJ/mol; (17) Boiling Point: 573.7 °C at 760 mmHg; (18) Vapour Pressure: 1.17E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCC(C)[C@@H](C(=O)O)NC(=O)CNC(=O)CN
(2) InChI: InChI=1/C10H19N3O4/c1-3-6(2)9(10(16)17)13-8(15)5-12-7(14)4-11/h6,9H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6?,9-/m0/s1
(3) InChIKey: XMPXVJIDADUOQB-HSOSERFQBJ