[3-[[3-cyclohexyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-oxidanylidene-azetidin-2-yl] ethanoate

Systemtic Name: [3-[[3-cyclohexyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-oxidanylidene-azetidin-2-yl] ethanoate Openeye Name: [3-[[3-cyclohexyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-oxo-azetidin-2-yl] acetate CAS Name: acetic acid [3-[[3-cyclohexyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]propyl]amino]-4-oxo-2-azetidinyl] ester IUPAC Name: [3-[[3-cyclohexyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-oxoazetidin-2-yl] acetate Traditional Name: acetic acid [3-[[3-cyclohexyl-2-(hydrocinnamoylamino)propanoyl]amino]-4-keto-azetidin-2-yl] ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=O)N1)NC(=O)C(CC2CCCCC2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1C(C(=O)N1)NC(=O)C(CC2CCCCC2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O5/c1-15(27)31-23-20(22(30)26-23)25-21(29)18(14-17-10-6-3-7-11-17)24-19(28)13-12-16-8-4-2-5-9-16/h2,4-5,8-9,17-18,20,23H,3,6-7,10-14H2,1H3,(H,24,28)(H,25,29)(H,26,30)