Pyroglutamyl-leucyl-tryptophan methyl ester structure

Pyroglutamyl-leucyl-tryptophan methyl ester

methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoate

Also Known As: Pglu-leu-trp-och3|Pol-509|Pol 509|Pyroglutamyl-leucyl-tryptophan methyl ester|Methyl 5-oxo-L-prolyl-L-leucyl-L-tryptophanate|L-Tryptophan, N-(N-(5-oxo-L-prolyl)-L-leucyl)-, methyl ester|METHYL (2S)-3-(1H-INDOL-3-YL)-2-[(2S)-4-METHYL-2-{[(2S)-5-OXOPYRROLIDIN-2-YL]FORMAMIDO}PENTANAMIDO]PROPANOATE|methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoate

CAS: 98385-67-2
Molecular Formula C23H30N4O5
Molecular Weight 442.22162 g/mol
LogP 2.1
Topological Polar Surface Area 129.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
Rotatable Bonds 10
Exact Mass 442.22162
Monoisotopic Mass 442.22162
Heavy Atoms 32
Complexity 713.0

Chemical Identifiers

CAS Number 98385-67-2
SMILES CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)[C@@H]3CCC(=O)N3
InChIKey JNUHDZHQZHCYSN-FHWLQOOXSA-N

Product Overview

Pyroglutamyl-leucyl-tryptophan methyl ester (CAS 98385-67-2), with molecular formula C23H30N4O5 and molecular weight 442.22162 g/mol. IUPAC: methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoate.

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