[[(Z)-7-[(1S,2S,3S,5R)-3,5-bis(oxidanyl)-2-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoyl]-methylsulfonyl-amino]methyl ethanoate

Systemtic Name: [[(Z)-7-[(1S,2S,3S,5R)-3,5-bis(oxidanyl)-2-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoyl]-methylsulfonyl-amino]methyl ethanoate Openeye Name: [[(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]-methylsulfonyl-amino]methyl acetate CAS Name: acetic acid [[(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]-1-oxohept-5-enyl]-methylsulfonylamino]methyl ester IUPAC Name: [[(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]-methylsulfonylamino]methyl acetate Traditional Name: acetic acid [[(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]-mesyl-amino]methyl ester Formula: C24H41NO8S MolecularWeight: 503.64924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)N(COC(=O)C)S(=O)(=O)C)O)O)O

Isomeric SMILES

CCCCC[C@H](/C=C/[C@@H]1[C@H](C[C@H]([C@H]1C/C=C\CCCC(=O)N(COC(=O)C)S(=O)(=O)C)O)O)O

InChI

InChI=1S/C24H41NO8S/c1-4-5-8-11-19(27)14-15-21-20(22(28)16-23(21)29)12-9-6-7-10-13-24(30)25(34(3,31)32)17-33-18(2)26/h6,9,14-15,19-23,27-29H,4-5,7-8,10-13,16-17H2,1-3H3/b9-6-,15-14+/t19-,20+,21+,22-,23+/m1/s1