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Aspergillomarasmine A

AlkaPlorer ID: AK013824

Synonym: 'Aspergillomarasmine A'

IUPAC Name: (2S)-2-[[(2R)-2-[[(2R)-2-amino-2-carboxyethyl]amino]-2-carboxyethyl]amino]butanedioic acid

Structure

SMILES: N[C@H](CN[C@H](CN[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O

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InChI: InChI=1S/C10H17N3O8/c11-4(8(16)17)2-12-6(10(20)21)3-13-5(9(18)19)1-7(14)15/h4-6,12-13H,1-3,11H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t4-,5+,6-/m1/s1

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InChIKey: XFTWUNOVBCHBJR-NGJCXOISSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus oryzae Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 307.259

TPSA？: 199.28

MolLogP？: -3.041399999999996

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Klebsiella pneumoniae Beta-lactamase NDM-1 MIC 1.0 ug.mL-1 10.1021/acs.jmedchem.8b01781
Klebsiella pneumoniae Klebsiella pneumoniae MIC 125.0 ug.mL-1 10.1016/j.bmc.2017.07.025
Klebsiella pneumoniae Klebsiella pneumoniae Survival 95.0 % 10.1016/j.ejmech.2021.113747
Klebsiella pneumoniae Klebsiella pneumoniae Survival 95.0 % 10.1021/acs.jmedchem.8b01781
None Unchecked Activity 50.0 uM 10.1016/j.bmc.2017.07.025
None Unchecked FICI 0.62 None 10.1016/j.bmc.2017.07.025
None Unchecked IC50 4000.0 nM 10.1016/j.ejmech.2021.113418
None Unchecked IC50 8100.0 nM 10.1016/j.bmc.2017.07.025
None Unchecked IC50 10200.0 nM 10.1021/acs.jmedchem.9b01279
None Unchecked MIC 65.0 ug.mL-1 10.1016/j.bmc.2017.07.025
None Unchecked MIC 250.0 ug.mL-1 10.1016/j.bmc.2017.07.025

Metabolism Information