MCQ
Summary
| Name: | {(4S)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-4-[(S)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| Formula: | C18 H25 N3 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 427.538 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {(4S)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-4-[(S)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 2.0.4 | 2-[2-(1-azanyl-3-methylsulfanyl-propyl)-4-[(~{S})-2-hydroxyethylsulfanyl-(4-hydroxyphenyl)methyl]-5-oxidanylidene-4~{H}-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(O)(=O)CN1C(C(N)CCSC)=NC(C1=O)C(c2ccc(O)cc2)SCCO |
| InChI | InChI | 1.03 | InChI=1S/C18H25N3O5S2/c1-27-8-6-13(19)17-20-15(18(26)21(17)10-14(24)25)16(28-9-7-22)11-2-4-12(23)5-3-11/h2-5,13,15-16,22-23H,6-10,19H2,1H3,(H,24,25)/t13-,15-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | UHNJBECKZOYAMH-BMFZPTHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@@H](N)C1=N[C@H]([C@@H](SCCO)c2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.385 | CSCC[CH](N)C1=N[CH]([CH](SCCO)c2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CSCCC(C1=NC(C(=O)N1CC(=O)O)[C@H](c2ccc(cc2)O)SCCO)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CSCCC(C1=NC(C(=O)N1CC(=O)O)C(c2ccc(cc2)O)SCCO)N |
