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- ChemComp-V7T: (2R)-6-azanyl-2-carbamimidamido-hexanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: V7T
NameName: (2R)-6-azanyl-2-carbamimidamido-hexanoic acid

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Chemical information

Composition
Formula: C7H16N4O2 / Number of atoms: 29 / Formula weight: 188.228 / Formal charge: 0
Others

7obv

LYS

Type: peptide-like / PDB classification: ATOMP / Three letter code: V7T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OBV / Parent comp.: LYS
History
Create componentApr 23, 2021
Modify coordinatesApr 23, 2021
Modify linking typeApr 28, 2021
Modify internal typeApr 29, 2021
Initial releaseApr 6, 2022
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385NCCCC[CH](NC(N)=N)C(O)=O
OpenEye OEToolkits 2.0.7C(CCN)CC(C(=O)O)NC(=N)N

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SMILES CANONICAL

CACTVS 3.385NCCCC[C@@H](NC(N)=N)C(O)=O
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/N[C@H](CCCCN)C(=O)O

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InChI

InChI 1.03InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1

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InChIKey

InChI 1.03FCYNCKFWUCHGHB-RXMQYKEDSA-N

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PDB entries

Showing all 1 items

PDB-7zvv:
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2196

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