VLM
VALINYLAMINE
Created: | 1999-07-08 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 1 |
Bond Count | 19 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | VALINYLAMINE |
Systematic Name (OpenEye OEToolkits) | (2S)-2-amino-3-methyl-butanamide |
Formula | C5 H12 N2 O |
Molecular Weight | 116.162 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N)C(N)C(C)C |
SMILES | CACTVS | 3.385 | CC(C)[CH](N)C(N)=O |
SMILES | OpenEye OEToolkits | 1.7.5 | CC(C)C(C(=O)N)N |
Canonical SMILES | CACTVS | 3.385 | CC(C)[C@H](N)C(N)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.5 | CC(C)[C@@H](C(=O)N)N |
InChI | InChI | 1.03 | InChI=1S/C5H12N2O/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H2,7,8)/t4-/m0/s1 |
InChIKey | InChI | 1.03 | XDEHMKQLKPZERH-BYPYZUCNSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 445637 |
ChEMBL | CHEMBL1229079 |
CCDC/CSD | GUKMOO |