(2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxy-phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxy-phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-(dimethylcarbamoyl)-2-isopropoxy-benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-[dimethylamino(oxo)methyl]-2-propan-2-yloxyphenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-(dimethylcarbamoyl)-2-propan-2-yloxybenzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-(dimethylcarbamoyl)-2-isopropoxy-benzoyl]amino]-3-phenyl-propionic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C(=O)N(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)C(=O)N(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H26N2O5/c1-14(2)29-19-13-16(21(26)24(3)4)10-11-17(19)20(25)23-18(22(27)28)12-15-8-6-5-7-9-15/h5-11,13-14,18H,12H2,1-4H3,(H,23,25)(H,27,28)/t18-/m0/s1