2-[[[1-(dimethylamino)-3-oxidanyl-propan-2-yl]-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[[1-(dimethylamino)-3-oxidanyl-propan-2-yl]-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[[1-(dimethylaminomethyl)-2-hydroxy-ethyl]-phenethyl-carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[[1-(dimethylamino)-3-hydroxypropan-2-yl]-phenethylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[[1-(dimethylamino)-3-hydroxypropan-2-yl]-phenethylcarbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[[1-(dimethylaminomethyl)-2-hydroxy-ethyl]-phenethyl-carbamoyl]amino]-3-phenyl-propionic acid Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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