GAZ
Summary
| Name: | L-gamma-glutamyl-3-{(E)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-L-alanylglycine |
| Formula: | C20 H27 N3 O9 S |
| Formal charge: | 0 |
| Formula weight: | 485.508 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | L-gamma-glutamyl-3-{(E)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-L-alanylglycine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-[[(2R)-3-[(E)-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethylidene]-$l^{4}-sulfanyl]-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCC(=O)NC(C(=O)NCC(O)=O)C\S=C\C(c1cc(OC)c(OC)cc1)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H27N3O9S/c1-31-15-5-3-11(7-16(15)32-2)14(24)10-33-9-13(19(28)22-8-18(26)27)23-17(25)6-4-12(21)20(29)30/h3,5,7,10,12-13,33H,4,6,8-9,21H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)(H,29,30)/t12-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | RZTBZJFXQSGYRQ-STQMWFEESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC)C(=O)/C=[SH]/C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC)C(=O)C=[SH]C[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1OC)C(=O)/C=S/C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1OC)C(=O)C=SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N |
