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51219-19-3

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Basic Information
CAS No.: 51219-19-3
Name: BOC-ARG(Z)2-OH
Molecular Structure:
Molecular Structure of 51219-19-3 (BOC-ARG(Z)2-OH)
Formula: C27H34N4O8
Molecular Weight: 542.589
Synonyms: Ornithine,N2,N5-dicarboxy-N5-(carboxyamidino)-, dibenzyl tert-butyl ester (7CI);11-Oxa-2,4,9-triazatridecanoic acid,8-carboxy-3-imino-12,12-dimethyl-10-oxo-4-[(phenylmethoxy)carbonyl]-,1-(phenylmethyl) ester, (S)-;Boc-Arg(2Z)-OH;
Density: 1.242 g/cm3
Melting Point: ~140 °C (dec.)
Appearance: white powder
Safety: 22-24/25
PSA: 167.35000
LogP: 5.12600
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Specification

The systematic name of Boc-Arg(Z)2-OH is N~5~-(bis{[(benzyloxy)carbonyl]amino}methylidene)-N~2~-(tert-butoxycarbonyl)-L-ornithine. With the CAS registry number 51219-19-3, it is also named as Nalpha-Boc-Ndelta,Nomega-di-Z-L-arginine. Additionally, it is white powder which should be stored in the -20°C environment. People should not breathe dust and avoid contact with skin and eyes.

The other characteristics of Boc-Arg(Z)2-OH can be summarized as: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 12; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 14; (6)Polar Surface Area: 164.65 ?2; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 142.509 cm3; (9)Molar Volume: 436.986 cm3; (10)Polarizability: 56.495×10-24 cm3; (11)Surface Tension: 47.047 dyne/cm.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)N[C@H](C(=O)O)CCC/N=C(\NC(=O)OCc1ccccc1)NC(=O)OCc2ccccc2
2. InChI:InChI=1/C27H34N4O8/c1-27(2,3)39-26(36)29-21(22(32)33)15-10-16-28-23(30-24(34)37-17-19-11-6-4-7-12-19)31-25(35)38-18-20-13-8-5-9-14-20/h4-9,11-14,21H,10,15-18H2,1-3H3,(H,29,36)(H,32,33)(H2,28,30,31,34,35)/t21-/m0/s1.