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URP : Summary
Code
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URP
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One-letter code
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X
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Molecule name
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N-(AMINOCARBONYL)-BETA-ALANINE
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Systematic names
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Formula
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C4 H8 N2 O3
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Formal charge
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0
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Molecular weight
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132.118 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)CCNC(=O)N |
SMILES
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CACTVS |
3.341 |
NC(=O)NCCC(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CNC(=O)N)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
NC(=O)NCCC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C(CNC(=O)N)C(=O)O |
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IUPAC InChI | InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9) |
IUPAC InChI key | JSJWCHRYRHKBBW-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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17 (9 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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2006-02-06
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Last modified at
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2020-05-26
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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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