ethyl 2-[[2-(2-methylpropyl)-3-(oxidanylcarbamoyl)hex-5-enoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[2-(2-methylpropyl)-3-(oxidanylcarbamoyl)hex-5-enoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[3-(hydroxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-[(hydroxyamino)-oxomethyl]-2-(2-methylpropyl)-1-oxohex-5-enyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-(hydroxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)C(CC=C)C(=O)NO

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)C(CC=C)C(=O)NO

InChI

InChI=1S/C22H32N2O5/c1-5-10-17(21(26)24-28)18(13-15(3)4)20(25)23-19(22(27)29-6-2)14-16-11-8-7-9-12-16/h5,7-9,11-12,15,17-19,28H,1,6,10,13-14H2,2-4H3,(H,23,25)(H,24,26)