UXS
(2S)-2-amino-4-(methylsulfanyl)butan-1-ol
Created: | 2020-06-04 |
Last modified: | 2024-09-27 |
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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-(methylsulfanyl)butan-1-ol |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-4-methylsulfanyl-butan-1-ol |
Formula | C5 H13 N O S |
Molecular Weight | 135.228 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(N)CCSC)O |
SMILES | CACTVS | 3.385 | CSCC[CH](N)CO |
SMILES | OpenEye OEToolkits | 2.0.7 | CSCCC(CO)N |
Canonical SMILES | CACTVS | 3.385 | CSCC[C@H](N)CO |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CSCC[C@@H](CO)N |
InChI | InChI | 1.03 | InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1 |
InChIKey | InChI | 1.03 | MIQJGZAEWQQAPN-YFKPBYRVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2724404 |