6-[4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]-2-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxy-cyclopenten-1-yl]sulfanylhexanoate

Systemtic Name: 6-[4-oxidanyl-5-[(E)-3-oxidanyloct-1-enyl]-2-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxy-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: 6-[2-[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]oxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]sulfanylhexanoate CAS Name: 6-[[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-2-[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propoxy]-1-cyclopentenyl]thio]hexanoate IUPAC Name: 6-[4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]-2-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]oxycyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[[2-[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]oxy-4-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopenten-1-yl]thio]hexanoate Formula: C36H46NO8S- MolecularWeight: 652.81734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=C1SCCCCCC(=O)[O-])OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=C1SCCCCCC(=O)[O-])OC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)O

InChI

InChI=1S/C36H47NO8S/c1-2-3-7-18-28(38)20-21-29-31(39)24-32(34(29)46-22-13-6-12-19-33(40)41)45-35(42)30(23-26-14-8-4-9-15-26)37-36(43)44-25-27-16-10-5-11-17-27/h4-5,8-11,14-17,20-21,28-31,38-39H,2-3,6-7,12-13,18-19,22-25H2,1H3,(H,37,43)(H,40,41)/p-1/b21-20+