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835632-60-5

835632-60-5 | L-Lysine, L-lysyl-L-lysyl-L-histidyl-L-lysyl-L-lysyl-

CAS No: 835632-60-5 Catalog No: AG004UN3 MDL No:

Product Description

Catalog Number:
AG004UN3
Chemical Name:
L-Lysine, L-lysyl-L-lysyl-L-histidyl-L-lysyl-L-lysyl-
CAS Number:
835632-60-5
Molecular Formula:
C36H69N13O7
Molecular Weight:
796.0160
IUPAC Name:
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
InChI:
InChI=1S/C36H69N13O7/c37-16-6-1-11-25(42)31(50)45-26(12-2-7-17-38)34(53)49-30(21-24-22-43-23-44-24)35(54)47-27(13-3-8-18-39)32(51)46-28(14-4-9-19-40)33(52)48-29(36(55)56)15-5-10-20-41/h22-23,25-30H,1-21,37-42H2,(H,43,44)(H,45,50)(H,46,51)(H,47,54)(H,48,52)(H,49,53)(H,55,56)/t25-,26-,27-,28-,29-,30-/m0/s1
InChI Key:
DTLSMPAIOFPPEM-WPMUBMLPSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCCN)Cc1nc[nH]c1

Properties

Complexity:
1170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
795.544g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
796.032g/mol
Monoisotopic Mass:
795.544g/mol
Rotatable Bond Count:
33  
Topological Polar Surface Area:
368A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7  

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