A1IX1
Summary
| Name: | (3~{S})-3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid |
| Formula: | C30 H33 N O6 |
| Formal charge: | 0 |
| Formula weight: | 503.586 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H33NO6/c32-29(31-24-5-3-1-2-4-6-24)19-37-25-11-9-20-7-8-21(15-23(20)16-25)26(18-30(33)34)22-10-12-27-28(17-22)36-14-13-35-27/h7-12,15-17,24,26H,1-6,13-14,18-19H2,(H,31,32)(H,33,34)/t26-/m0/s1 |
| InChIKey | InChI | 1.06 | NADCPZSMBZDCAT-SANMLTNESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H](c1ccc2OCCOc2c1)c3ccc4ccc(OCC(=O)NC5CCCCCC5)cc4c3 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](c1ccc2OCCOc2c1)c3ccc4ccc(OCC(=O)NC5CCCCCC5)cc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCCC3)[C@H](CC(=O)O)c4ccc5c(c4)OCCO5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCCC3)C(CC(=O)O)c4ccc5c(c4)OCCO5 |
