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163133-44-6

163133-44-6 | L-Lysine, L-seryl-L-histidyl-L-leucyl-L-valyl-

CAS No: 163133-44-6 Catalog No: AG001TSK MDL No:

Product Description

Catalog Number:
AG001TSK
Chemical Name:
L-Lysine, L-seryl-L-histidyl-L-leucyl-L-valyl-
CAS Number:
163133-44-6
Molecular Formula:
C26H46N8O7
Molecular Weight:
582.6928
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
InChI:
InChI=1S/C26H46N8O7/c1-14(2)9-19(33-23(37)20(10-16-11-29-13-30-16)32-22(36)17(28)12-35)24(38)34-21(15(3)4)25(39)31-18(26(40)41)7-5-6-8-27/h11,13-15,17-21,35H,5-10,12,27-28H2,1-4H3,(H,29,30)(H,31,39)(H,32,36)(H,33,37)(H,34,38)(H,40,41)/t17-,18-,19-,20-,21-/m0/s1
InChI Key:
CNMPCMRVLXOLBR-SXYSDOLCSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)N)CC(C)C

Properties

Complexity:
873  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
582.349g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
582.703g/mol
Monoisotopic Mass:
582.349g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2  

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