(2-benzamidophenyl) 7-[(1S,2R,3R)-2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: (2-benzamidophenyl) 7-[(1S,2R,3R)-2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: (2-benzamidophenyl) 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxy-2-methyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[(1S,2R,3R)-3-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentyl]heptanoic acid (2-benzamidophenyl) ester IUPAC Name: (2-benzamidophenyl) 7-[(1S,2R,3R)-3-hydroxy-2-(2-hydroxy-2-methylheptyl)sulfanyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[(1S,2R,3R)-3-hydroxy-2-[(2-hydroxy-2-methyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid (2-benzamidophenyl) ester Formula: C33H45NO6S MolecularWeight: 583.7785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CSC1C(CC(=O)C1CCCCCCC(=O)OC2=CC=CC=C2NC(=O)C3=CC=CC=C3)O)O

Isomeric SMILES

CCCCCC(C)(CS[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC2=CC=CC=C2NC(=O)C3=CC=CC=C3)O)O

InChI

InChI=1S/C33H45NO6S/c1-3-4-14-21-33(2,39)23-41-31-25(27(35)22-28(31)36)17-10-5-6-11-20-30(37)40-29-19-13-12-18-26(29)34-32(38)24-15-8-7-9-16-24/h7-9,12-13,15-16,18-19,25,28,31,36,39H,3-6,10-11,14,17,20-23H2,1-2H3,(H,34,38)/t25-,28+,31+,33?/m0/s1