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Boc-Ile-Glu-Gly-Arg-Amc acetate salt

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Name

Boc-Ile-Glu-Gly-Arg-Amc acetate salt

EINECS N/A
CAS No. 65147-06-0 Density 1.36 g/cm3
PSA 284.14000 LogP 4.02070
Solubility N/A Melting Point N/A
Formula C34H50N8O10 Boiling Point N/A
Molecular Weight 730.82 Flash Point N/A
Transport Information N/A Appearance WHITE POWDER
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 65147-06-0 (Boc-Ile-Glu-Gly-Arg-Amc acetate salt) Hazard Symbols N/A
Synonyms

Tertiary-butyloxycarbonyl-isoleucyl-glutamyl-glycyl-arginyl-7-amino-4-methylcoumarin;

 

Boc-Ile-Glu-Gly-Arg-Amc acetate salt Specification

The Boc-Ile-Glu-Gly-Arg-Amc acetate salt, with the CAS registry number 65147-06-0, is also known as Tertiary-butyloxycarbonyl-isoleucyl-glutamyl-glycyl-arginyl-7-amino-4-methylcoumarin. This chemical's molecular formula is C34H50N8O10 and molecular weight is 730.82. What's more, its systematic name is N-(tert-Butoxycarbonyl)-L-isoleucyl-L-α-glutamyl-N-{(2S)-5-[(diaminomethylidene)amino]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]pentanoyl}glycinamide. In addition, it must be stored at -15 °C.

Physical properties about Boc-Ile-Glu-Gly-Arg-Amc acetate salt are: (1)of Rule of 5 Violations: 3; (2)#H bond acceptors: 18; (3)#H bond donors: 10; (4)#Freely Rotating Bonds: 20; (5)Polar Surface Area: 182.22 Å2; (6)Index of Refraction: 1.61; (7)Molar Refractivity: 185.32 cm3; (8)Molar Volume: 534.4 cm3; (9)Polarizability: 73.46×10-24 cm3; (10)Surface Tension: 53.2 dyne/cm; (11)Density: 1.36 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC(=O)[C@@H](Nc2ccc\1c(OC(=O)/C=C/1C)c2)CCC/N=C(\N)N)CCC(=O)O)[C@@H](C)CC
(2) InChI: O=C(OC(C)(C)C)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NC(=O)[C@@H](Nc2ccc\1c(OC(=O)/C=C/1C)c2)CCC/N=C(\N)N)CCC(=O)O)[C@@H](C)CC
(3) InChIKey: PWOIMWXLMWHALO-SBZQNBARBC

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