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823233-57-4

823233-57-4 | L-Lysine, L-methionyl-L-lysyl-L-isoleucyl-L-seryl-

CAS No: 823233-57-4 Catalog No: AG005E0W MDL No:

Product Description

Catalog Number:
AG005E0W
Chemical Name:
L-Lysine, L-methionyl-L-lysyl-L-isoleucyl-L-seryl-
CAS Number:
823233-57-4
Molecular Formula:
C26H51N7O7S
Molecular Weight:
605.7908
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
InChI:
InChI=1S/C26H51N7O7S/c1-4-16(2)21(25(38)32-20(15-34)24(37)31-19(26(39)40)10-6-8-13-28)33-23(36)18(9-5-7-12-27)30-22(35)17(29)11-14-41-3/h16-21,34H,4-15,27-29H2,1-3H3,(H,30,35)(H,31,37)(H,32,38)(H,33,36)(H,39,40)/t16-,17-,18-,19-,20-,21-/m0/s1
InChI Key:
ZCDONORWWXGAHP-PXQJOHHUSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CO)[C@H](CC)C)NC(=O)[C@H](CCSC)N

Properties

Complexity:
821  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
605.357g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
605.796g/mol
Monoisotopic Mass:
605.357g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
277A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.9  

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