IGE decapeptide

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid

Also Known As: Ige decapeptide|Immunoglobulin E decapeptide|TP2385|Ige epsilon chain decapeptide (497-506)|(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid|l-lysyl-l-threonyl-l-lysylglycyl-l-serylglycyl-l-phenylalanyl-l-phenylalanyl-l-valyl-l-phenylalanine|L-Phenylalanine, N-(N-(N-(N-(N-(N-(N-(N2-(N-L-lysyl-L-threonyl)-L-lysyl)glycyl)-L-seryl)glycyl)-L-phenylalanyl)-L-phenylalanyl)-L-valyl)-

Molecular Formula	C55H80N12O13
Molecular Weight	1116.5968 g/mol
LogP	-2.5
Topological Polar Surface Area	418.0 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	16
Rotatable Bonds	36
Exact Mass	1116.5968
Monoisotopic Mass	1116.5968
Heavy Atoms	80
Complexity	1980.0

Chemical Identifiers

CAS Number	730-87-0
SMILES	C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CCCCN)N)O
InChIKey	LBWHYNPDTSNGQD-NSHCULHESA-N