2-[[2-methylpropylcarbamoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-methylpropylcarbamoyl-(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[(2-hydroxy-1-methyl-2-oxo-ethyl)-(isobutylcarbamoyl)amino]propanoic acid CAS Name: 2-[[(1-hydroxy-1-oxopropan-2-yl)-[(2-methylpropylamino)-oxomethyl]amino]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[(1-hydroxy-1-oxopropan-2-yl)-(2-methylpropylcarbamoyl)amino]propanoic acid Traditional Name: 2-benzyl-3-[(2-hydroxy-2-keto-1-methyl-ethyl)-(isobutylcarbamoyl)amino]propionic acid Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)N(CC(CC1=CC=CC=C1)C(=O)O)C(C)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)N(CC(CC1=CC=CC=C1)C(=O)O)C(C)C(=O)O

InChI

InChI=1S/C18H26N2O5/c1-12(2)10-19-18(25)20(13(3)16(21)22)11-15(17(23)24)9-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,19,25)(H,21,22)(H,23,24)