(4-methyl-2-oxidanylidene-pentyl) (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-methyl-2-oxidanylidene-pentyl) (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-methyl-2-oxo-pentyl) (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (4R,5S,6S)-3-[[1-[(4-fluorophenyl)methyl]-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-methyl-2-oxopentyl) ester IUPAC Name: (4-methyl-2-oxopentyl) (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6S)-3-[[1-(4-fluorobenzyl)azetidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-keto-4-methyl-pentyl) ester Formula: C26H33FN2O5S MolecularWeight: 504.614023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CN(C3)CC4=CC=C(C=C4)F)C(=O)OCC(=O)CC(C)C)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)CC4=CC=C(C=C4)F)C(=O)OCC(=O)CC(C)C)[C@@H](C)O

InChI

InChI=1S/C26H33FN2O5S/c1-14(2)9-19(31)13-34-26(33)23-24(15(3)22-21(16(4)30)25(32)29(22)23)35-20-11-28(12-20)10-17-5-7-18(27)8-6-17/h5-8,14-16,20-22,30H,9-13H2,1-4H3/t15-,16-,21-,22-/m1/s1