3-[5-[[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]methyl]-1,2-oxazol-3-yl]propanoic acid

Systemtic Name: 3-[5-[[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]methyl]-1,2-oxazol-3-yl]propanoic acid Openeye Name: 3-[5-[[[(2S)-2-amino-3-phenyl-propanoyl]amino]methyl]isoxazol-3-yl]propanoic acid CAS Name: 3-[5-[[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]methyl]-3-isoxazolyl]propanoic acid IUPAC Name: 3-[5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]-1,2-oxazol-3-yl]propanoic acid Traditional Name: 3-[5-[[[(2S)-2-amino-3-phenyl-propanoyl]amino]methyl]isoxazol-3-yl]propionic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CC(=NO2)CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=CC(=NO2)CCC(=O)O)N

InChI

InChI=1S/C16H19N3O4/c17-14(8-11-4-2-1-3-5-11)16(22)18-10-13-9-12(19-23-13)6-7-15(20)21/h1-5,9,14H,6-8,10,17H2,(H,18,22)(H,20,21)/t14-/m0/s1