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- ChemComp-LTN: L-TRYPTOPHANAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: LTN
NameName: L-tryptophanamide

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Chemical information

Composition
Formula: C11H13N3O / Number of atoms: 28 / Formula weight: 203.24 / Formal charge: 0
Others

1mau

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LTN / Model coordinates PDB-ID: 1MAU
History
Create componentAug 8, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / DrugBank / KEGG_Ligand / Metabolights / NMRShiftDB / 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 10.04O=C(N)C(N)Cc2c1ccccc1nc2
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(N)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N

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InChI

InChI 1.03InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1

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InChIKey

InChI 1.03JLSKPBDKNIXMBS-VIFPVBQESA-N

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SYSTEMATIC NAME

ACDLabs 10.04L-tryptophanamide
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-(1H-indol-3-yl)propanamide

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PDB entries

Showing all 3 items

PDB-1mau:
Crystal structure of Tryptophanyl-tRNA Synthetase Complexed with ATP and Tryptophanamide in a Pre-Transition state Conformation

PDB-2qui:
Crystal structures of human tryptophanyl-tRNA synthetase in complex with Tryptophanamide and ATP

PDB-3kt8:
Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase in complex with L-tryptophanamide

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