TUK
Summary
| Name: | 2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanal |
| Formula: | C18 H22 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 374.457 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22N4O3S/c1-26-7-6-13(19)17-21-15(18(25)22(17)10-16(23)24)8-11-9-20-14-5-3-2-4-12(11)14/h2-5,9,13,17,20H,6-8,10,19H2,1H3,(H,23,24)/t13-,17-/m0/s1 |
| InChIKey | InChI | 1.06 | SKQKCQNQSMQAEW-GUYCJALGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H](N)[C@H]1N=C(Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.385 | CSCC[CH](N)[CH]1N=C(Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSCC[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2c[nH]c3c2cccc3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSCCC(C1N=C(C(=O)N1CC(=O)O)Cc2c[nH]c3c2cccc3)N |
