DYS
Summary
| Name: | S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine |
| Formula: | C11 H16 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 272.321 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-L-cysteine |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-amino-3-[5-(2-aminoethyl)-2,3-dihydroxy-phenyl]sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSc1cc(cc(O)c1O)CCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCc1cc(O)c(O)c(SC[C@H](N)C(O)=O)c1 |
| SMILES | CACTVS | 3.341 | NCCc1cc(O)c(O)c(SC[CH](N)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1O)O)SC[C@@H](C(=O)O)N)CCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1O)O)SCC(C(=O)O)N)CCN |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | BZYHBWCVRKSWDB-ZETCQYMHSA-N |
