CY1
ACETAMIDOMETHYLCYSTEINE
| Created: | 1999-10-12 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 1 |
| Bond Count | 23 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | ACETAMIDOMETHYLCYSTEINE |
| Systematic Name (OpenEye OEToolkits) | (2R)-3-(acetamidomethylsulfanyl)-2-amino-propanoic acid |
| Formula | C6 H12 N2 O3 S |
| Molecular Weight | 192.236 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCSCC(C(=O)O)N)C |
| SMILES | CACTVS | 3.341 | CC(=O)NCSC[CH](N)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NCSCC(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.341 | CC(=O)NCSC[C@H](N)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NCSC[C@@H](C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O3S/c1-4(9)8-3-12-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | QFQYGJMNIDGZSG-YFKPBYRVSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 1590099, 1590100 |














