CCY
Summary
| Name: | 2-(1-AMINO-2-MERCAPTO-ETHYL)-5-(4-HYDROXY-BENZYL)-3-(ETHANOYL)-3,5-DIHYDRO-IMIDAZOL-4-ONE |
| Formula: | C14 H19 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 325.383 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2S,4S)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[2-[(1R)-1-amino-2-sulfanyl-ethyl]-4-[(4-hydroxyphenyl)methyl]-5-oxo-imidazolidin-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CS)[C@H]1N[C@@H](Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CS)[CH]1N[CH](Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC2C(=O)N(C(N2)[C@H](CS)N)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC2C(=O)N(C(N2)C(CS)N)CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H19N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-4,10-11,13,16,18,22H,5-7,15H2,(H,19,20)/t10-,11-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | JOKFHXYJVJVXHV-GVXVVHGQSA-N |
