[(3aR,5R,6R,7R,7aS)-5-(hydroxymethyl)-7-phenylmethoxy-2-[(propan-2-ylcarbamoylamino)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6-yl] 4-fluoranylbenzoate

Systemtic Name: [(3aR,5R,6R,7R,7aS)-5-(hydroxymethyl)-7-phenylmethoxy-2-[(propan-2-ylcarbamoylamino)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6-yl] 4-fluoranylbenzoate Openeye Name: [(3aR,5R,6R,7R,7aS)-7-benzyloxy-5-(hydroxymethyl)-2-[(isopropylcarbamoylamino)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(3aR,5R,6R,7R,7aS)-5-(hydroxymethyl)-2-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]-7-phenylmethoxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6-yl] ester IUPAC Name: [(3aR,5R,6R,7R,7aS)-5-(hydroxymethyl)-7-phenylmethoxy-2-[(propan-2-ylcarbamoylamino)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(3aR,5R,6R,7R,7aS)-7-benzoxy-2-[(isopropylcarbamoylamino)methyl]-5-methylol-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-6-yl] ester Formula: C27H33FN2O7 MolecularWeight: 516.558523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1CC2C(O1)C(C(C(O2)CO)OC(=O)C3=CC=C(C=C3)F)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)NCC1C[C@@H]2[C@H](O1)[C@H]([C@@H]([C@H](O2)CO)OC(=O)C3=CC=C(C=C3)F)OCC4=CC=CC=C4

InChI

InChI=1S/C27H33FN2O7/c1-16(2)30-27(33)29-13-20-12-21-23(35-20)25(34-15-17-6-4-3-5-7-17)24(22(14-31)36-21)37-26(32)18-8-10-19(28)11-9-18/h3-11,16,20-25,31H,12-15H2,1-2H3,(H2,29,30,33)/t20?,21-,22-,23+,24-,25-/m1/s1