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Cas Database

Name	L-Leucine,L-alanyl-L-leucyl-L-alanyl-	EINECS	N/A
CAS No.	84676-48-2	Density	1.123 g/cm³
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C₁₈H₃₄N₄O₅	Boiling Point	695.6 °C at 760 mmHg
Molecular Weight	386.492	Flash Point	374.5 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	L-Leucine,N-[N-(N-L-alanyl-L-leucyl)-L-alanyl]-;10: PN: WO2009026274 SEQID: 10 unclaimedprotein;11: PN: US20050026231 SEQID: 11 unclaimed sequence;11: PN:WO2008083312 SEQID: 1 unclaimed sequence;19: PN: US20060041105 SEQID: 34unclaimed sequence;1: PN: EP1977765 SEQID: 1 unclaimed sequence;1: PN:FR2858936 SEQID: 2 unclaimed sequence;1: PN: WO2004071493 PAGE: 19 unclaimedsequence;1: PN: WO2008120098 SEQID: 1 unclaimed sequence;23: PN:US20090162372 SEQID: 23 unclaimed protein;25: PN: US20070041904 SEQID: 34claimed protein;2: PN: US20030130189 PAGE: 9 unclaimed sequence;30: PN:WO2007022531 PAGE: 22 unclaimed sequence;34: PN: WO2005042034 SEQID: 34claimed protein;3: PN: WO03072754 SEQID: 3 unclaimed protein;40: PN:WO2009045957 SEQID: 40 unclaimed protein;4: PN: US20040259112 SEQID: 3unclaimed sequence;57: PN: WO2009073533 SEQID: 57 unclaimed protein;63: PN:WO2009073546 SEQID: 30 claimed sequence;77: PN: WO2008074004 SEQID: 77unclaimed protein;7: PN: WO2004080412 SEQID: 12 unclaimed sequence;85: PN:WO2008070569 SEQID: 94 unclaimed protein;88: PN: WO2009054863 SEQID: 88unclaimed protein;Ala-Leu-Ala-Leu;	Article Data	2

L-Leucine,L-alanyl-L-leucyl-L-alanyl- Specification

The L-Leucine,L-alanyl-L-leucyl-L-alanyl-, with the CAS registry number 84676-48-2, is also known as L-Leucine,N-[N-(N-L-alanyl-L-leucyl)-L-alanyl]-. It belongs to the product categories of Peptide; Other Peptides; Peptides and Proteins; Peptides for Cell Biology. This chemical's molecular formula is C₁₈H₃₄N₄O₅ and molecular weight is 386.4864. What's more, its systematic name is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Aminopropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid.

Physical properties about L-Leucine,L-alanyl-L-leucyl-L-alanyl- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.95; (4)ACD/LogD (pH 7.4): -1.07; (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: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 90.47 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 101.16 cm³; (15)Molar Volume: 344 cm³; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.123 g/cm³; (18)Flash Point: 374.5 °C; (19)Enthalpy of Vaporization: 111 kJ/mol; (20)Boiling Point: 695.6 °C at 760 mmHg; (21)Vapour Pressure: 3.49E-21 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](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)C
(2) InChI: InChI=1/C18H34N4O5/c1-9(2)7-13(21-15(23)11(5)19)17(25)20-12(6)16(24)22-14(18(26)27)8-10(3)4/h9-14H,7-8,19H2,1-6H3,(H,20,25)(H,21,23)(H,22,24)(H,26,27)/t11-,12-,13-,14-/m0/s1
(3) InChIKey: KQRHTCDQWJLLME-XUXIUFHCBR

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