07O
Summary
| Name: | S-[(2S)-2-phenylpropanoyl]-L-cysteine |
| Formula: | C12 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 253.317 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(2S)-2-phenylpropanoyl]-L-cysteine |
| OpenEye OEToolkits | 1.7.2 | (2R)-2-azanyl-3-[(2S)-2-phenylpropanoyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSC(=O)C(c1ccccc1)C |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO3S/c1-8(9-5-3-2-4-6-9)12(16)17-7-10(13)11(14)15/h2-6,8,10H,7,13H2,1H3,(H,14,15)/t8-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | MKJXBQOLOVPPBW-WPRPVWTQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](C(=O)SC[C@H](N)C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.370 | C[CH](C(=O)SC[CH](N)C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@@H](c1ccccc1)C(=O)SC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(c1ccccc1)C(=O)SCC(C(=O)O)N |
