LCZ
(2S)-2-amino-4-methylpentanal
Created: | 2012-02-09 |
Last modified: | 2012-08-31 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 1 |
Bond Count | 20 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2S)-2-amino-4-methylpentanal |
Systematic Name (OpenEye OEToolkits) | (2S)-2-azanyl-4-methyl-pentanal |
Formula | C6 H13 N O |
Molecular Weight | 115.174 |
Type | PEPTIDE-LIKE |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CC(N)CC(C)C |
SMILES | CACTVS | 3.370 | CC(C)C[CH](N)C=O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CC(C=O)N |
Canonical SMILES | CACTVS | 3.370 | CC(C)C[C@H](N)C=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C[C@@H](C=O)N |
InChI | InChI | 1.03 | InChI=1S/C6H13NO/c1-5(2)3-6(7)4-8/h4-6H,3,7H2,1-2H3/t6-/m0/s1 |
InChIKey | InChI | 1.03 | ZOFRRNUENOHELM-LURJTMIESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 133915 |