tert-butyl (1S,5R)-6-[5-[2,6-bis(fluoranyl)-4-[(5R)-2-oxidanylidene-5-(1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]pyridin-2-yl]-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate

Systemtic Name: tert-butyl (1S,5R)-6-[5-[2,6-bis(fluoranyl)-4-[(5R)-2-oxidanylidene-5-(1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]pyridin-2-yl]-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate Openeye Name: tert-butyl (1S,5R)-6-cyano-6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)oxazolidin-3-yl]phenyl]-2-pyridyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate CAS Name: (1S,5R)-6-cyano-6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(1-triazolylmethyl)-3-oxazolidinyl]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,5R)-6-cyano-6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate Traditional Name: (1S,5R)-6-cyano-6-[5-[2,6-difluoro-4-[(5R)-2-keto-5-(triazol-1-ylmethyl)oxazolidin-3-yl]phenyl]-2-pyridyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester Formula: C28H27F2N7O4 MolecularWeight: 563.555286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C(C1)C2(C#N)C3=NC=C(C=C3)C4=C(C=C(C=C4F)N5CC(OC5=O)CN6C=CN=N6)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2(C#N)C3=NC=C(C=C3)C4=C(C=C(C=C4F)N5C[C@@H](OC5=O)CN6C=CN=N6)F

InChI

InChI=1S/C28H27F2N7O4/c1-27(2,3)41-25(38)35-13-19-20(14-35)28(19,15-31)23-5-4-16(10-32-23)24-21(29)8-17(9-22(24)30)37-12-18(40-26(37)39)11-36-7-6-33-34-36/h4-10,18-20H,11-14H2,1-3H3/t18-,19-,20+,28?/m0/s1