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OLN : Summary
Code
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OLN
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One-letter code
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X
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Molecule name
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(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID
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Systematic names
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Formula
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C8 H15 N3 O4
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Formal charge
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0
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Molecular weight
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217.222 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(NC(=O)C)CCCNC(=O)N |
SMILES
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CACTVS |
3.341 |
CC(=O)N[CH](CCCNC(N)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)NC(CCCNC(=O)N)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O |
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IUPAC InChI | InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1 |
IUPAC InChI key | WMQMIOYQXNRROC-LURJTMIESA-N |
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wwPDB Information |
Atom count
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30 (15 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2005-01-10
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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