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 |
|---|---|
| PubChem | 140091117 |














