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- ChemComp-ALC: 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: ALC
NameName: 2-amino-3-cyclohexyl-propionic acid

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Chemical information

Composition
Formula: C9H17NO2 / Number of atoms: 29 / Formula weight: 171.237 / Formal charge: 0
Others

1b3h

ALA

HAC

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: A / Three letter code: ALC / Model coordinates PDB-ID: 1B3H / Parent comp.: ALA / Replaces: HAC
History
Create componentJun 30, 2000
Modify descriptorJun 4, 2011
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

ACDLabs 10.04O=C(O)C(N)CC1CCCCC1
CACTVS 3.341N[CH](CC1CCCCC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CCC(CC1)CC(C(=O)O)N

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SMILES CANONICAL

CACTVS 3.341N[C@@H](CC1CCCCC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CCC(CC1)C[C@@H](C(=O)O)N

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InChI

InChI 1.03InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1

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InChIKey

InChI 1.03ORQXBVXKBGUSBA-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 10.043-cyclohexyl-L-alanine
OpenEye OEToolkits 1.5.0(2S)-2-amino-3-cyclohexyl-propanoic acid

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PDB entries

Showing all 1 items

PDB-8grt:
Small Dipeptide Analogues developed by Co-crystal Structure of Stenotrophomonas maltophilia Dipeptidyl Peptidase 7

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