Locustapyrokinin II

HCID 192556

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Basic information

CAS: 151812-20-3
Standard SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O
InChIKey: PEDXAQWKKDRGQL-RKKUXNHQSA-N
Molecular formula: C65H98N16O17
Average molar mass: 1,375.6 g/mol

Overview

Pyroglutamyl-seryl-valyl-prolyl-threonyl-phenylalanyl-threonyl-prolyl-arginyl-leucinamide has been reported in Locusta migratoria with data available.

Names & identifiers

Preferred name: Locustapyrokinin II
IUPAC: (2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
English name: locustapyrokinin II
Molecular formula: C65H98N16O17
Molecular weight: 1375.57

Names & synonyms

Locustapyrokinin II151812-20-3Pyroglutamyl-seryl-valyl-prolyl-threonyl-phenylalanyl-threonyl-prolyl-arginyl-leucinamidePglu-ser-val-pro-thr-phe-thr-pro-arg-leu-NH2RefChem:153924(2S)-N-((2S)-1-(((2S)-1-((2S)-2-(((2S,3R)-1-(((2S)-1-(((2S,3R)-1-(((2S)-1-(((2S,3R)-1-((2S)-2-(((2S)-1-(((2S)-1-amino-4-methyl-1-oxopentan-2-yl)amino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamideorb1983645L-Leucinamide, 5-oxo-L-prolyl-L-seryl-L-valyl-L-prolyl-L-threonyl-L-phenylalanyl-L-threonyl-L-phenylalanyl-L-threonyl-L-prolyl-L-arginyl-

Database identifiers

CAS

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 520 Å²
Hydrogen bond donors: 17
Hydrogen bond acceptors: 18
Rotatable bonds: 36
Heavy atoms: 98
Formal charge: 0
Complexity: 2,810

Chemistry & industry

Applications

DescriptionLocustapyrokinin II is a member of the FXPRL-amide peptide family isolated from Locusta migratoria.

Related reactions

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Compound notes

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