A1H9C
Summary
| Name: | (R)-2-(3-(((4-methoxyphenyl)sulfonamido)methyl)phenyl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate |
| Synonyms: | (2~{R})-2-[3-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid |
| Formula: | C30 H24 N2 O7 S |
| Formal charge: | 0 |
| Formula weight: | 556.586 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[3-[[(4-methoxyphenyl)sulfonylamino]methyl]phenyl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H24N2O7S/c1-39-20-12-14-21(15-13-20)40(37,38)31-17-18-6-4-7-19(16-18)27(30(35)36)32-29(34)25-11-5-10-24-26(25)22-8-2-3-9-23(22)28(24)33/h2-16,27,31H,17H2,1H3,(H,32,34)(H,35,36)/t27-/m1/s1 |
| InChIKey | InChI | 1.06 | CLEMPUBHWYERSF-HHHXNRCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[S](=O)(=O)NCc2cccc(c2)[C@@H](NC(=O)c3cccc4C(=O)c5ccccc5c34)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[S](=O)(=O)NCc2cccc(c2)[CH](NC(=O)c3cccc4C(=O)c5ccccc5c34)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)S(=O)(=O)NCc2cccc(c2)[C@H](C(=O)O)NC(=O)c3cccc4c3-c5ccccc5C4=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)S(=O)(=O)NCc2cccc(c2)C(C(=O)O)NC(=O)c3cccc4c3-c5ccccc5C4=O |
