3-(dimethylaminomethyl)-4-oxidanyl-2-(phenethylcarbamoylamino)-2-(phenylmethyl)butanoic acid

Systemtic Name: 3-(dimethylaminomethyl)-4-oxidanyl-2-(phenethylcarbamoylamino)-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-3-(dimethylaminomethyl)-4-hydroxy-2-(phenethylcarbamoylamino)butanoic acid CAS Name: 3-(dimethylaminomethyl)-4-hydroxy-2-[[oxo-(phenethylamino)methyl]amino]-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-3-(dimethylaminomethyl)-4-hydroxy-2-(phenethylcarbamoylamino)butanoic acid Traditional Name: 2-benzyl-3-(dimethylaminomethyl)-4-hydroxy-2-(phenethylcarbamoylamino)butyric acid Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CO)C(CC1=CC=CC=C1)(C(=O)O)NC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CN(C)CC(CO)C(CC1=CC=CC=C1)(C(=O)O)NC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O4/c1-26(2)16-20(17-27)23(21(28)29,15-19-11-7-4-8-12-19)25-22(30)24-14-13-18-9-5-3-6-10-18/h3-12,20,27H,13-17H2,1-2H3,(H,28,29)(H2,24,25,30)