Aeruginozamide AEG671

HCID 155802108

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Basic information

Standard SMILES: C=CC(C)(C)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1c1nc(C(=O)OC)cs1
InChIKey: IIMKUAKIRYOISV-UHFFFAOYSA-N
Molecular formula: C37H45N5O5S
Average molar mass: 671.8 g/mol
Monoisotopic mass: 671.31414073

Overview

Aeruginosamide 671 is an oligopeptide.

Names & identifiers

Preferred name: Aeruginozamide AEG671
IUPAC: methyl 2-[1-[1-[2-[[2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

Names & synonyms

Aeruginosamide 671Aeruginozamide AEG671CHEBI:210459DTXSID001335438methyl 2-[1-[1-[2-[[2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylateMethyl 2-{1-[N-(2-methylbut-3-en-2-yl)phenylalanylphenylalanylprolyl]pyrrolidin-2-yl}-1,3-thiazole-4-carboxylate

Database identifiers

PubChem CID: 155802108
DTXSID: DTXSID001335438
ChEBI: CHEBI:210459

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 149 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 14
Heavy atoms: 48
Formal charge: 0
Complexity: 1,140

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Compound notes

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