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6ZS : Summary
Code
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6ZS
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One-letter code
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X
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Molecule name
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L-isovaline
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Systematic names
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Formula
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C5 H11 N O2
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Formal charge
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0
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Molecular weight
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117.146 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC[C](C)(N)C(O)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CCC(C)(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.385 |
CC[C@](C)(N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC[C@@](C)(C(=O)O)N |
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IUPAC InChI | InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1 |
IUPAC InChI key | GCHPUFAZSONQIV-YFKPBYRVSA-N |
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wwPDB Information |
Atom count
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19 (8 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-peptide linking
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Type code
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ATOMP
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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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2016-08-02
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Last modified at
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2023-11-03
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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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