Boceprevir
group of stereoisomers with the chemical formula C₂₇H₃₆D₉N₅O₅
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Boceprevir
Summary
Boceprevir is a group of stereoisomers[1].
Key Facts
- Boceprevir's instance of is recorded as group of stereoisomers[2].
- Boceprevir's CAS Registry Number is recorded as 1256751-11-7[3].
- Boceprevir's canonical SMILES is recorded as [2H]C([2H])([2H])C(NC(O)=NC(C(=O)N1CC2C(C1C(O)=NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H][4].
- Boceprevir's InChI is recorded as InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1/i4D3,5D3,6D3[5].
- Boceprevir's InChIKey is recorded as LHHCSNFAOIFYRV-BHJZPCNUSA-N[6].
- Boceprevir's chemical formula is recorded as C₂₇H₃₆D₉N₅O₅[7].
- Boceprevir's subclass of is recorded as chemical compound[8].
- Boceprevir's PubChem CID is recorded as 71314176[9].
- Boceprevir's catalog is recorded as CAS COVID-19 Anti-Viral Candidate Compounds[10].
- Boceprevir's isomeric SMILES is recorded as [2H]C([2H])([2H])C(NC(O)=NC@HC(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]C@HC(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]">[11].
- Boceprevir's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+528.398560254'}[12].
- Boceprevir's DSSTox substance ID is recorded as DTXSID20747203[13].
- Boceprevir's DSSTOX compound identifier is recorded as DTXCID30697947[14].
- Boceprevir's UniChem compound ID is recorded as 48467203[15].
- Boceprevir's Probes And Drugs ID is recorded as PD130596[16].