[[2-(2-methylpropyl)-3-(phenylmethoxycarbamoyl)hex-5-enoyl]amino] 3-phenylpropanoate

Systemtic Name: [[2-(2-methylpropyl)-3-(phenylmethoxycarbamoyl)hex-5-enoyl]amino] 3-phenylpropanoate Openeye Name: [[3-(benzyloxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [[2-(2-methylpropyl)-1-oxo-3-[oxo-(phenylmethoxyamino)methyl]hex-5-enyl]amino] ester IUPAC Name: [[2-(2-methylpropyl)-3-(phenylmethoxycarbamoyl)hex-5-enoyl]amino] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [[3-(benzoxycarbamoyl)-2-isobutyl-hex-5-enoyl]amino] ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)NOCC1=CC=CC=C1)C(=O)NOC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)NOCC1=CC=CC=C1)C(=O)NOC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C27H34N2O5/c1-4-11-23(26(31)28-33-19-22-14-9-6-10-15-22)24(18-20(2)3)27(32)29-34-25(30)17-16-21-12-7-5-8-13-21/h4-10,12-15,20,23-24H,1,11,16-19H2,2-3H3,(H,28,31)(H,29,32)