| PDB CCD ID: | O2W |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C20 H23 N3 O6 |
| InChI: | InChI=1S/C20H23N3O6/c1-28-14(24)10-29-19(27)22-20-8-6-11(7-9-20)15-16(20)18(26)23(17(15)25)13-4-2-12(21)3-5-13/h2-5,11,15-16H,6-10,21H2,1H3,(H,22,27)/t11-,15-,16+,20-/m1/s1 |
| InChIKey: | PWUNEFYJETTWLK-KCQBUTHOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | COC(=O)COC(=O)NC12CCC(CC1)[CH]3[CH]2C(=O)N(C3=O)c4ccc(N)cc4 | | ACDLabs 12.01 | O=C(OC)COC(=O)NC24CCC(C1C(=O)N(C(=O)C12)c3ccc(N)cc3)CC4 | | OpenEye OEToolkits 1.7.0 | COC(=O)COC(=O)NC12CCC(CC1)[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(cc4)N | | CACTVS 3.370 | COC(=O)COC(=O)NC12CCC(CC1)[C@@H]3[C@H]2C(=O)N(C3=O)c4ccc(N)cc4 | | OpenEye OEToolkits 1.7.0 | COC(=O)COC(=O)NC12CCC(CC1)C3C2C(=O)N(C3=O)c4ccc(cc4)N |
|
| Name: | methyl ({[(3aR,4R,7R,7aR)-2-(4-aminophenyl)-1,3-dioxooctahydro-4H-4,7-ethanoisoindol-4-yl]carbamoyl}oxy)acetate |
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