CAS No.111119-28-9,GLY-ARG-GLY-ASP-SER-PRO-LYS Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	111119-28-9
Name:	GLY-ARG-GLY-ASP-SER-PRO-LYS
Article Data:	3

Formula:	C₂₈H₄₉N₁₁O₁₁
Molecular Weight:	715.764
Synonyms:	L-Lysine,N2-[1-[N-[N-[N-(N2-glycyl-L-arginyl)glycyl]-L-a-aspartyl]-L-seryl]-L-prolyl]-;L-Lysine,glycyl-L-arginylglycyl-L-a-aspartyl-L-seryl-L-prolyl-;Gly-Arg-Gly-Asp-Ser-Pro-Lys;N2-(1-(N-(N-(N-(N2-Glycyl-L-arginyl)glycyl)-L-α-aspartyl)-L-seryl)-L-prolyl)-L-lysine;Grgdspk;MolPort-003-941-423;
Density:	1.59 g/cm³
Appearance:	white powder
PSA:	374.58000
LogP:	-1.58070

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Specification

The Glycyl-arginyl-glycyl-aspartyl-seryl-prolyl-lysine, with the CAS registry number 111141-02-7, is also known as N2-(1-(N-(N-(N-(N2-Glycyl-L-arginyl)glycyl)-L-α-aspartyl)-L-seryl)-L-prolyl)-L-lysine. It belongs to the product category of Peptide. This chemical's molecular formula is C₂₈H₄₉N₁₁O₁₁ and molecular weight is 715.76. What's more, its IUPAC name is (2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid. Its storage temperature is -20°C.

Physical properties of Glycyl-arginyl-glycyl-aspartyl-seryl-prolyl-lysine are: (1)ACD/LogP: -3.50; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -7.43; (4)ACD/LogD (pH 7.4): -6.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 22; (8)#H bond donors: 16; (9)#Freely Rotating Bonds: 26; (10)Polar Surface Area: 209.01 Å²; (11)Index of Refraction: 1.672; (12)Molar Refractivity: 168.35 cm³; (13)Molar Volume: 449.6 cm³; (14)Surface Tension: 75.2 dyne/cm; (15)Density: 1.59 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(N(C1)C(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)CN)C(=O)NC(CCCCN)C(=O)O
(2)Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)O
(3)InChI: InChI=1S/C28H49N11O11/c29-8-2-1-5-16(27(49)50)37-25(47)19-7-4-10-39(19)26(48)18(14-40)38-24(46)17(11-22(43)44)36-21(42)13-34-23(45)15(35-20(41)12-30)6-3-9-33-28(31)32/h15-19,40H,1-14,29-30H2,(H,34,45)(H,35,41)(H,36,42)(H,37,47)(H,38,46)(H,43,44)(H,49,50)(H4,31,32,33)/t15-,16-,17-,18-,19-/m0/s1
(4)InChIKey: ZRVZOBGMZWVJOS-VMXHOPILSA-N