Molecule

Benarthin

AlkaPlorer ID: AK016894

Synonym: None

IUPAC Name: (2S,3R)-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2,3-dihydroxybenzoyl)amino]pentanoyl]amino]-3-hydroxybutanoic acid

Structure

SMILES: C[C@@H](O)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)C1=CC=CC(O)=C1O)C(=O)O

InChI: InChI=1S/C17H25N5O7/c1-8(23)12(16(28)29)22-15(27)10(5-3-7-20-17(18)19)21-14(26)9-4-2-6-11(24)13(9)25/h2,4,6,8,10,12,23-25H,3,5,7H2,1H3,(H,21,26)(H,22,27)(H,28,29)(H4,18,19,20)/t8-,10+,12+/m1/s1

InChIKey: RYFDAFYFFUVLNW-QRTLGDNMSA-N

Reference

Nagstatin, a new inhibitor of N-acetyl-.BETA.-D-glucosaminidase, produced by Streptomyces amakusaensis MG846-fF3. Taxonomy, production, isolation, physico-chemical properties and biological activities.

PubChem CID: 197330

LOTUS: LTS0063251

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NPAtlas: NPA020626

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces xanthophaeus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 411.4150000000001

TPSA？: 225.07

MolLogP？: -0.1752299999999982

Number of H-Donors: 9

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi