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

Systemtic Name: methyl 2-[[2-(2-methylpropyl)-3-(oxidanylcarbamoyl)hex-5-enoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-5-9-16(20(25)23-27)17(12-14(2)3)19(24)22-18(21(26)28-4)13-15-10-7-6-8-11-15/h5-8,10-11,14,16-18,27H,1,9,12-13H2,2-4H3,(H,22,24)(H,23,25)