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- ChemComp-WT2: (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: WT2
NameName: (S)-2-amino-5-(2-oxoacetimidamido)pentanoic acid

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Chemical information

Composition
Formula: C7H13N3O3 / Number of atoms: 26 / Formula weight: 187.196 / Formal charge: 0
Others

5agm

Type: non-polymer / PDB classification: HETAIN / Three letter code: WT2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AGM
History
Create componentFeb 2, 2015
Initial releaseApr 29, 2015
External linksUniChem / ChemSpider / PubChem / 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(O)C(N)CCCNC(=[N@H])C=O
CACTVS 3.385N[CH](CCCNC(=N)C=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CNC(=N)C=O

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SMILES CANONICAL

CACTVS 3.385N[C@@H](CCCNC(=N)C=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C[C@@H](C(=O)O)N)CNC(=N)C=O

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InChI

InChI 1.03InChI=1S/C7H13N3O3/c8-5(7(12)13)2-1-3-10-6(9)4-11/h4-5H,1-3,8H2,(H2,9,10)(H,12,13)/t5-/m0/s1

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InChIKey

InChI 1.03JPSGSOHVMKIFBG-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N~5~-[(1Z)-2-oxoethanimidoyl]-L-ornithine
OpenEye OEToolkits 1.7.6(2S)-2-azanyl-5-(2-oxidanylideneethanimidoylamino)pentanoic acid

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PDB entries

Showing all 1 items

PDB-5agm:
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid

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