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148893-59-8

148893-59-8 | L-Lysine, L-glutaminyl-L-arginyl-L-prolyl-L-alanyl-

CAS No: 148893-59-8 Catalog No: AG001L94 MDL No:

Product Description

Catalog Number:
AG001L94
Chemical Name:
L-Lysine, L-glutaminyl-L-arginyl-L-prolyl-L-alanyl-
CAS Number:
148893-59-8
Molecular Formula:
C25H46N10O7
Molecular Weight:
598.6955
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoic acid
InChI:
InChI=1S/C25H46N10O7/c1-14(20(37)34-17(24(41)42)6-2-3-11-26)32-22(39)18-8-5-13-35(18)23(40)16(7-4-12-31-25(29)30)33-21(38)15(27)9-10-19(28)36/h14-18H,2-13,26-27H2,1H3,(H2,28,36)(H,32,39)(H,33,38)(H,34,37)(H,41,42)(H4,29,30,31)/t14-,15-,16-,17-,18-/m0/s1
InChI Key:
NOBOBWONZWNTHO-ATIWLJMLSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CCCNC(=N)N)C

Properties

Complexity:
989  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
598.355g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
598.706g/mol
Monoisotopic Mass:
598.355g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
304A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.8  

Literature

Title Journal
Synthesis and biological activity of nitronyl nitroxide containing peptides. Journal of medicinal chemistry 20050630

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