Pyroglutamyl-histidyl-alanine

(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid

Also Known As: Pglu-his-ala|Pglu-his-ala-OH|Pyroglutamyl-histidyl-alanine|5-oxo-l-prolyl-l-histidyl-d-alanine|D-Alanine, N-(N-(5-oxo-L-prolyl)-L-histidyl)-|(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoic acid|2-[[3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]propanoic acid|N-[(2S)-1-Hydroxy-2-({hydroxy[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl]methylidene}amino)-3-(1H-imidazol-5-yl)propylidene]-D-alanine|N-[1-Hydroxy-2-{[hydroxy(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]amino}-3-(1H-imidazol-5-yl)propylidene]alanine

Molecular Formula	C14H19N5O5
Molecular Weight	337.1386 g/mol
LogP	-2.1
Topological Polar Surface Area	153.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	337.1386
Monoisotopic Mass	337.1386
Heavy Atoms	24
Complexity	526.0

Chemical Identifiers

CAS Number	877-16-7
SMILES	C[C@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]2CCC(=O)N2
InChIKey	NGNCHLZYBLGYLJ-JEZHCXPESA-N