(2S)-2-[[3-[(oxolan-2-ylmethylamino)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[3-[(oxolan-2-ylmethylamino)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-3-phenyl-2-[[3-[(tetrahydrofuran-2-ylmethylamino)methyl]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[oxo-[3-[(2-oxolanylmethylamino)methyl]phenyl]methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[3-[(oxolan-2-ylmethylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-3-phenyl-2-[[3-[(tetrahydrofurfurylamino)methyl]benzoyl]amino]propionic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNCC2=CC=CC(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(OC1)CNCC2=CC=CC(=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O4/c25-21(24-20(22(26)27)13-16-6-2-1-3-7-16)18-9-4-8-17(12-18)14-23-15-19-10-5-11-28-19/h1-4,6-9,12,19-20,23H,5,10-11,13-15H2,(H,24,25)(H,26,27)/t19?,20-/m0/s1