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- ChemComp-Z0A: (3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: Z0A
NameName: (3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one

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Chemical information

Composition
Formula: C10H18N2O2 / Number of atoms: 32 / Formula weight: 198.262 / Formal charge: 0
Others

2zu3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Z0A / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZU3
History
Create componentNov 17, 2010
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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=C1NCCC1CC(N)CCC(=O)C
CACTVS 3.370CC(=O)CC[CH](N)C[CH]1CCNC1=O
OpenEye OEToolkits 1.7.0CC(=O)CCC(CC1CCNC1=O)N

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SMILES CANONICAL

CACTVS 3.370CC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O
OpenEye OEToolkits 1.7.0CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N

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InChI

InChI 1.03InChI=1S/C10H18N2O2/c1-7(13)2-3-9(11)6-8-4-5-12-10(8)14/h8-9H,2-6,11H2,1H3,(H,12,14)/t8-,9+/m0/s1

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InChIKey

InChI 1.03GWPIOALDPNACHZ-DTWKUNHWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one
OpenEye OEToolkits 1.7.0(3S)-3-[(2R)-2-azanyl-5-oxo-hexyl]pyrrolidin-2-one

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