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TDD : Summary
Code
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TDD
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One-letter code
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L
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Molecule name
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(2R)-2-amino-3,3-dimethyl-butanoic acid
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Systematic names
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Formula
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C6 H13 N O2
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Formal charge
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0
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Molecular weight
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131.173 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(N)C(C)(C)C |
SMILES
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CACTVS |
3.341 |
CC(C)(C)[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)(C)C(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
CC(C)(C)[C@@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)(C)[C@H](C(=O)O)N |
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IUPAC InChI | InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1 |
IUPAC InChI key | NPDBDJFLKKQMCM-BYPYZUCNSA-N |
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wwPDB Information |
Atom count
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22 (9 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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D-peptide linking
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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LEU
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Defined at
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2008-06-02
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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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