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- ChemComp-AMJ: N~2~-acetyl-N-benzyl-O-methyl-L-serinamide -

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Basic information

EntryDatabase: PDB chemical components / ID: AMJ
NameName: N~2~-acetyl-N-benzyl-O-methyl-L-serinamide

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Chemical information

Composition
Formula: C13H18N2O3 / Number of atoms: 36 / Formula weight: 250.294 / Formal charge: 0
Others

3ieo

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AMJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IEO
History
Create componentJul 30, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEMBL / ChemicalBook / 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 11.02O=C(NC(C(=O)NCc1ccccc1)COC)C
CACTVS 3.352COC[CH](NC(C)=O)C(=O)NCc1ccccc1
OpenEye OEToolkits 1.7.0CC(=O)NC(COC)C(=O)NCc1ccccc1

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SMILES CANONICAL

CACTVS 3.352COC[C@H](NC(C)=O)C(=O)NCc1ccccc1
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1

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InChI

InChI 1.03InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1

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InChIKey

InChI 1.03VPPJLAIAVCUEMN-LBPRGKRZSA-N

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SYSTEMATIC NAME

ACDLabs 11.02N~2~-acetyl-N-benzyl-O-methyl-L-serinamide
OpenEye OEToolkits 1.6.1(2S)-2-acetamido-3-methoxy-N-(phenylmethyl)propanamide

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PDB entries

Showing all 1 items

PDB-3ieo:
The coumarin-binding site in carbonic anhydrase: the antiepileptic lacosamide as an example

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