2-[[(2-methyl-3-oxidanyl-propyl)-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(2-methyl-3-oxidanyl-propyl)-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(3-hydroxy-2-methyl-propyl)-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[(3-hydroxy-2-methylpropyl)-phenethylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(3-hydroxy-2-methylpropyl)-phenethylcarbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(3-hydroxy-2-methyl-propyl)-phenethyl-carbamoyl]amino]-3-phenyl-propionic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)CO

Isomeric SMILES

CC(CN(CCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)CO

InChI

InChI=1S/C22H28N2O4/c1-17(16-25)15-24(13-12-18-8-4-2-5-9-18)22(28)23-20(21(26)27)14-19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3,(H,23,28)(H,26,27)