(2S)-3-[4-(2,2-dimethylpropoxy)phenyl]-2-[[(2S)-4-methyl-2-phenylmethoxy-pentyl]amino]propanoic acid

Systemtic Name: (2S)-3-[4-(2,2-dimethylpropoxy)phenyl]-2-[[(2S)-4-methyl-2-phenylmethoxy-pentyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-benzyloxy-4-methyl-pentyl]amino]-3-[4-(2,2-dimethylpropoxy)phenyl]propanoic acid CAS Name: (2S)-3-[4-(2,2-dimethylpropoxy)phenyl]-2-[[(2S)-4-methyl-2-phenylmethoxypentyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(2,2-dimethylpropoxy)phenyl]-2-[[(2S)-4-methyl-2-phenylmethoxypentyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-2-benzoxy-4-methyl-pentyl]amino]-3-(4-neopentyloxyphenyl)propionic acid Formula: C27H39NO4 MolecularWeight: 441.60286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC(CC1=CC=C(C=C1)OCC(C)(C)C)C(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](CN[C@@H](CC1=CC=C(C=C1)OCC(C)(C)C)C(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H39NO4/c1-20(2)15-24(31-18-22-9-7-6-8-10-22)17-28-25(26(29)30)16-21-11-13-23(14-12-21)32-19-27(3,4)5/h6-14,20,24-25,28H,15-19H2,1-5H3,(H,29,30)/t24-,25-/m0/s1