7XZ
Summary
| Name: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid |
| Synonyms: | ZINC2104681 |
| Formula: | C18 H19 N O8 |
| Formal charge: | 0 |
| Formula weight: | 377.345 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H19NO8/c1-10-12-4-3-11(26-2)7-14(12)27-18(25)13(10)5-6-15(20)19(8-16(21)22)9-17(23)24/h3-4,7H,5-6,8-9H2,1-2H3,(H,21,22)(H,23,24) |
| InChIKey | InChI | 1.06 | RMQTZPUNTDZXLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C(=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)Oc2c1)C |
| SMILES | CACTVS | 3.385 | COc1ccc2C(=C(CCC(=O)N(CC(O)=O)CC(O)=O)C(=O)Oc2c1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OC)CCC(=O)N(CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)Oc2c1ccc(c2)OC)CCC(=O)N(CC(=O)O)CC(=O)O |
