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- ChemComp-66N: L-alaninamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 66N
NameName: L-alaninamide
Commentantibiotic*YM

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Chemical information

Composition
Formula: C3H8N2O / Number of atoms: 14 / Formula weight: 88.108 / Formal charge: 0
Others

5htc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 66N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HTC
History
Create componentFeb 4, 2016
Initial releaseMar 16, 2016
External linksUniChem / ChemSpider / Brenda / ChEBI / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(C(N)C)N
CACTVS 3.385C[CH](N)C(N)=O
OpenEye OEToolkits 2.0.4CC(C(=O)N)N

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SMILES CANONICAL

CACTVS 3.385C[C@H](N)C(N)=O
OpenEye OEToolkits 2.0.4C[C@@H](C(=O)N)N

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InChI

InChI 1.03InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1

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InChIKey

InChI 1.03HQMLIDZJXVVKCW-REOHCLBHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01L-alaninamide
OpenEye OEToolkits 2.0.4(2~{S})-2-azanylpropanamide

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PDB entries

Showing all 1 items

PDB-6fcs:
The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMpentapeptide-NAG-NAMpentapeptide

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