Pentalysine

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,7S)-2,7,11-triamino-5-(aminomethyl)-6-oxoundecanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

Also Known As: Pentalysine|Lys-lys-lys-lys-lys|Lysyl-lysyl-lysyl-lysyl-lysyl|L-lysyl-L-lysyl-L-lysyl-L-lysyl-L-lysine|L-Lysine,L-lysyl-L-lysyl-L-lysyl-L-lysyl-|5-[(2s)-2,6-diaminohexanoyl]-l-lysyl-l-lysyl-l-lysyl-l-lysine|(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,7S)-2,7,11-triamino-5-(aminomethyl)-6-oxoundecanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid|L-Lysine, N2-(N2-(N2-(N2-L-lysyl-L-lysyl)-L-lysyl)-L-lysyl)-|N~2~-[(2S)-6-Amino-2-{[(2S)-6-amino-1-hydroxy-2-{[(2S,7S)-2,7,11-triamino-5-(aminomethyl)-1-hydroxy-6-oxoundecylidene]amino}hexylidene]amino}-1-hydroxyhexylidene]-L-lysine|N~2~-{6-Amino-2-[(6-amino-1-hydroxy-2-{[2,7,11-triamino-5-(aminomethyl)-1-hydroxy-6-oxoundecylidene]amino}hexylidene)amino]-1-hydroxyhexylidene}lysine

Molecular Formula	C30H62N10O6
Molecular Weight	658.48535 g/mol
LogP	-6.1
Topological Polar Surface Area	324.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	13
Rotatable Bonds	29
Exact Mass	658.48535
Monoisotopic Mass	658.48535
Heavy Atoms	46
Complexity	896.0

Chemical Identifiers

CAS Number	53733-91-8
SMILES	C(CCN)C[C@@H](C(=O)C(CC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)N)CN)N
InChIKey	XDKDSIDMLJBBDG-PHDXAEFOSA-N