3-[2-azanyl-3-[(2S)-3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]propanoic acid

Systemtic Name: 3-[2-azanyl-3-[(2S)-3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]propanoic acid Openeye Name: 3-[2-amino-3-[(2S)-3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]propanoic acid CAS Name: 3-[2-amino-3-[(2S)-2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]propanoic acid IUPAC Name: 3-[2-amino-3-[(2S)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]propanoic acid Traditional Name: 3-[2-amino-3-[(2S)-3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]propionic acid Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=CC=CC(=C3N)CCC(=O)O)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NC[C@@H](COC3=CC=CC(=C3N)CCC(=O)O)O

InChI

InChI=1S/C26H32N2O4/c1-26(2,15-18-10-11-19-6-3-4-7-21(19)14-18)28-16-22(29)17-32-23-9-5-8-20(25(23)27)12-13-24(30)31/h3-11,14,22,28-29H,12-13,15-17,27H2,1-2H3,(H,30,31)/t22-/m0/s1