A1D62
(11R,16S)-11-(3,5-dichloro-4-methoxyphenyl)-4,7-dioxa-12,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-13,15-dione
| Created: | 2024-03-26 |
| Last modified: | 2025-04-02 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 45 |
| Chiral Atom Count | 2 |
| Bond Count | 49 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | (11R,16S)-11-(3,5-dichloro-4-methoxyphenyl)-4,7-dioxa-12,14-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9-triene-13,15-dione |
| Formula | C20 H16 Cl2 N2 O5 |
| Molecular Weight | 435.257 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | COc1c(Cl)cc(cc1Cl)[CH]2N3[CH](Cc4cc5OCCOc5cc24)C(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(cc(cc1Cl)C2c3cc4c(cc3CC5N2C(=O)NC5=O)OCCO4)Cl |
| Canonical SMILES | CACTVS | 3.385 | COc1c(Cl)cc(cc1Cl)[C@H]2N3[C@@H](Cc4cc5OCCOc5cc24)C(=O)NC3=O |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(cc(cc1Cl)[C@@H]2c3cc4c(cc3C[C@@H]5N2C(=O)NC5=O)OCCO4)Cl |
| InChI | InChI | 1.06 | InChI=1S/C20H16Cl2N2O5/c1-27-18-12(21)4-10(5-13(18)22)17-11-8-16-15(28-2-3-29-16)7-9(11)6-14-19(25)23-20(26)24(14)17/h4-5,7-8,14,17H,2-3,6H2,1H3,(H,23,25,26)/t14-,17+/m0/s1 |
| InChIKey | InChI | 1.06 | GANPPQNYXDZLNS-WMLDXEAASA-N |
