DCL
2-AMINO-4-METHYL-PENTAN-1-OL
Created: | 1999-11-10 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 1 |
Bond Count | 22 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2-AMINO-4-METHYL-PENTAN-1-OL |
Synonyms | LEUCINOL |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-4-methyl-pentan-1-ol |
Formula | C6 H15 N O |
Molecular Weight | 117.189 |
Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
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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 |
InChI | InChI | 1.03 | InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1 |
InChIKey | InChI | 1.03 | VPSSPAXIFBTOHY-LURJTMIESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 111307 |
ChEMBL | CHEMBL1232141 |