U2M
(2S)-2-amino-7-sulfanylheptanoic acid
Created: | 2020-04-09 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 26 |
Chiral Atom Count | 1 |
Bond Count | 25 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2S)-2-amino-7-sulfanylheptanoic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-7-sulfanyl-heptanoic acid |
Formula | C7 H15 N O2 S |
Molecular Weight | 177.264 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCCCCS |
SMILES | CACTVS | 3.385 | N[CH](CCCCCS)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(CCC(C(=O)O)N)CCS |
Canonical SMILES | CACTVS | 3.385 | N[C@@H](CCCCCS)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C(CC[C@@H](C(=O)O)N)CCS |
InChI | InChI | 1.03 | InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | QICNSJMVLZSQPX-LURJTMIESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 140091117 |