60F
Summary
| Name: | (2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid |
| Formula: | C12 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 267.301 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (2~{R})-2-azanyl-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO4S/c13-10(12(16)17)7-18-11(15)6-3-8-1-4-9(14)5-2-8/h1-6,10,14H,7,13H2,(H,16,17)/b6-3+/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | RIXZOZKLGOTDHO-YVGDHZEHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSC(=O)/C=C/c1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSC(=O)C=Cc1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1/C=C/C(=O)SC[C@@H](C(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1C=CC(=O)SCC(C(=O)O)N)O |
