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DCL : Summary
Code 
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DCL
|
One-letter code 
|
X
|
Molecule name 
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2-AMINO-4-METHYL-PENTAN-1-OL
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Synonyms 
|
LEUCINOL
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Systematic names 
|
|
Formula 
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C6 H15 N O
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Formal charge 
|
0
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Molecular weight 
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117.189 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
OCC(N)CC(C)C |
SMILES
|
CACTVS |
3.370 |
CC(C)C[CH](N)CO |
SMILES
|
OpenEye OEToolkits |
1.7.2 |
CC(C)CC(CO)N |
Canonical SMILES
|
CACTVS |
3.370 |
CC(C)C[C@H](N)CO |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.2 |
CC(C)C[C@@H](CO)N |
|
IUPAC InChI  | InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1 |
IUPAC InChI key  | VPSSPAXIFBTOHY-LURJTMIESA-N |
|
wwPDB Information |
Atom count 
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23 (8 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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peptide-like
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Type code 
|
HETAIN
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Is modified 
|
Yes
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Standard parent 
|
UNK
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Defined at 
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1999-11-10
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Last modified at 
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2020-06-17
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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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