N-Boc-N'-tosyl-L-beta-homoarginine supplier

Name
BOC-L-BETA-HOMOARGININE(TOS)
EINECS
CAS No. 136271-81-3
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₁₉H₃₀N₄O₆S
Boiling Point
Molecular Weight 442.53
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boc-β-homo-Arg(Tos)-OH;Boc-β-HoArg(Tos)-OH;(3S)-6-{[(1E)-amino{[(4-methylphenyl)sulfonyl]amino}methylidene]amino}-3-[(tert-butoxycarbonyl)amino]hexanoic acid;
PSA 166.06000
LogP 4.29910

N-Boc-N'-tosyl-L-beta-homoarginine Specification

The Hexanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[[imino[[(4-methylphenyl)sulfonyl]amino]methyl]amino]-,(S)- (9CI), with the CAS registry number 136271-81-3, has the systematic name of (3S)-6-{[(1E)-amino{[(4-methylphenyl)sulfonyl]amino}methylidene]amino}-3-[(tert-butoxycarbonyl)amino]hexanoic acid. It belongs to the following product categories: β-Homo Amino Acids; Beta amino acids; Unusual Amino Acids; Amino Acid Derivatives. The molecular formula of the chemical is C₁₉H₃₀N₄O₆S.

The characteristics of Hexanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[[imino[[(4-methylphenyl)sulfonyl]amino]methyl]amino]-,(S)- (9CI) are as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.85; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 117.2 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 112.13 cm³; (15)Molar Volume: 341.1 cm³; (16)Polarizability: 44.45×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.29 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NC(=N/CCC[C@H](NC(=O)OC(C)(C)C)CC(=O)O)/N
(2)InChI: InChI=1/C19H30N4O6S/c1-13-7-9-15(10-8-13)30(27,28)23-17(20)21-11-5-6-14(12-16(24)25)22-18(26)29-19(2,3)4/h7-10,14H,5-6,11-12H2,1-4H3,(H,22,26)(H,24,25)(H3,20,21,23)/t14-/m0/s1
(3)InChIKey: RYHLUZMBVLFVPG-AWEZNQCLBN

Product Name

BOC-L-BETA-HOMOARGININE(TOS)

N-Boc-N'-tosyl-L-beta-homoarginine Specification

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