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LEI : Summary
Code
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LEI
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One-letter code
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V
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Molecule name
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3-sulfanyl-D-valine
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Synonyms
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D-PENICILLAMINE
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Systematic names
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Formula
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C5 H11 N O2 S
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Formal charge
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0
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Molecular weight
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149.211 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(S)(C)C |
SMILES
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CACTVS |
3.341 |
CC(C)(S)[CH](N)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)(C(C(=O)O)N)S |
Canonical SMILES
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CACTVS |
3.341 |
CC(C)(S)[C@@H](N)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C)([C@H](C(=O)O)N)S |
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IUPAC InChI | InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1 |
IUPAC InChI key | VVNCNSJFMMFHPL-VKHMYHEASA-N |
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wwPDB Information |
Atom count
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20 (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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VAL
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Defined at
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2009-05-16
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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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