2-[[[(E)-2-(2-methylpropyl)-3-(oxan-2-yloxycarbamoyl)-6-phenyl-hex-5-enoyl]amino]-methylsulfonyl-amino]ethanoate

Systemtic Name: 2-[[[(E)-2-(2-methylpropyl)-3-(oxan-2-yloxycarbamoyl)-6-phenyl-hex-5-enoyl]amino]-methylsulfonyl-amino]ethanoate Openeye Name: 2-[[[(E)-2-isobutyl-6-phenyl-3-(tetrahydropyran-2-yloxycarbamoyl)hex-5-enoyl]amino]-methylsulfonyl-amino]acetate CAS Name: 2-[[[(E)-2-(2-methylpropyl)-3-[(2-oxanyloxyamino)-oxomethyl]-1-oxo-6-phenylhex-5-enyl]amino]-methylsulfonylamino]acetate IUPAC Name: 2-[[[(E)-2-(2-methylpropyl)-3-(oxan-2-yloxycarbamoyl)-6-phenylhex-5-enoyl]amino]-methylsulfonylamino]acetate Traditional Name: 2-[[[(E)-2-isobutyl-6-phenyl-3-(tetrahydropyran-2-yloxycarbamoyl)hex-5-enoyl]amino]-mesyl-amino]acetate Formula: C25H36N3O8S- MolecularWeight: 538.63364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=CC1=CC=CC=C1)C(=O)NOC2CCCCO2)C(=O)NN(CC(=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)CC(C(C/C=C/C1=CC=CC=C1)C(=O)NOC2CCCCO2)C(=O)NN(CC(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C25H37N3O8S/c1-18(2)16-21(24(31)26-28(17-22(29)30)37(3,33)34)20(13-9-12-19-10-5-4-6-11-19)25(32)27-36-23-14-7-8-15-35-23/h4-6,9-12,18,20-21,23H,7-8,13-17H2,1-3H3,(H,26,31)(H,27,32)(H,29,30)/p-1/b12-9+