3-[5-[1,3-bis(azanyl)-2-oxidanylidene-4-phenyl-butyl]-1,2-oxazol-3-yl]propanoic acid

Systemtic Name: 3-[5-[1,3-bis(azanyl)-2-oxidanylidene-4-phenyl-butyl]-1,2-oxazol-3-yl]propanoic acid Openeye Name: 3-[5-(1,3-diamino-2-oxo-4-phenyl-butyl)isoxazol-3-yl]propanoic acid CAS Name: 3-[5-(1,3-diamino-2-oxo-4-phenylbutyl)-3-isoxazolyl]propanoic acid IUPAC Name: 3-[5-(1,3-diamino-2-oxo-4-phenylbutyl)-1,2-oxazol-3-yl]propanoic acid Traditional Name: 3-[5-(1,3-diamino-2-keto-4-phenyl-butyl)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)C(C2=CC(=NO2)CCC(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(C2=CC(=NO2)CCC(=O)O)N)N

InChI

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