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- ChemComp-2UA: (3S)-3-[(2R)-2-amino-5-cyclopropyl-5-oxopentyl]pyrrolidin-2-one -

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Basic information

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

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Chemical information

Composition
Formula: C12H20N2O2 / Number of atoms: 36 / Formula weight: 224.299 / Formal charge: 0
Others

2zu5

Type: peptide-like / PDB classification: HETAIN / Three letter code: 2UA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZU5
History
Create componentNov 10, 2010
Modify descriptorJun 4, 2011
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 12.01O=C1NCCC1CC(N)CCC(=O)C2CC2
CACTVS 3.370N[CH](CCC(=O)C1CC1)C[CH]2CCNC2=O
OpenEye OEToolkits 1.7.0C1CC1C(=O)CCC(CC2CCNC2=O)N

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SMILES CANONICAL

CACTVS 3.370N[C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O
OpenEye OEToolkits 1.7.0C1CNC(=O)[C@@H]1C[C@@H](CCC(=O)C2CC2)N

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InChI

InChI 1.03InChI=1S/C12H20N2O2/c13-10(3-4-11(15)8-1-2-8)7-9-5-6-14-12(9)16/h8-10H,1-7,13H2,(H,14,16)/t9-,10+/m0/s1

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InChIKey

InChI 1.03HBVSUDZBPRBVRU-VHSXEESVSA-N

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SYSTEMATIC NAME

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

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