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Herdmanine A

AlkaPlorer ID: AK092241

Synonym: 'N2-{4-(1H-Indol-3-ylcarbonyl)oxybenzoyl}-D-arginine', '(2R)-5-(diaminomethylideneamino)-2-4-(1H-indole-3-carbonyloxy)benzoylaminopentanoic acid'

IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[[4-(1H-indole-3-carbonyloxy)benzoyl]amino]pentanoic acid

Structure

SMILES: N=C(N)NCCC[C@@H](NC(=O)C1=CC=C(OC(=O)C2=CNC3=CC=CC=C23)C=C1)C(=O)O

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InChI: InChI=1S/C22H23N5O5/c23-22(24)25-11-3-6-18(20(29)30)27-19(28)13-7-9-14(10-8-13)32-21(31)16-12-26-17-5-2-1-4-15(16)17/h1-2,4-5,7-10,12,18,26H,3,6,11H2,(H,27,28)(H,29,30)(H4,23,24,25)/t18-/m1/s1

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InChIKey: WFXCKNBSVBTDLA-GOSISDBHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Herdmania momus Herdmania Pyuridae Stolidobranchia Ascidiacea Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 437.4560000000001

TPSA？: 170.39

MolLogP？: 1.8333700000000004

Number of H-Donors: 6

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterobacter cloacae Enterobacter cloacae Activity None None 10.1021/np200397g
Escherichia coli Escherichia coli Activity None None 10.1021/np200397g
Klebsiella aerogenes Klebsiella aerogenes Activity None None 10.1021/np200397g
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium Activity None None 10.1021/np200397g
Staphylococcus aureus Staphylococcus aureus Activity None None 10.1021/np200397g

Metabolism Information