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

Systemtic Name: 2-[methyl-[2-(2-methylpropyl)-2-(oxidanylcarbamoyl)hex-5-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(hydroxycarbamoyl)-2-isobutyl-hex-5-enoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(hydroxyamino)-oxomethyl]-2-(2-methylpropyl)-1-oxohex-5-enyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(hydroxycarbamoyl)-2-(2-methylpropyl)hex-5-enoyl]-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(hydroxycarbamoyl)-2-isobutyl-hex-5-enoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCC=C)(C(=O)NO)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CC(CCC=C)(C(=O)NO)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)O

InChI

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