4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-5-phenethyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-5-phenethyl-1,2-oxazole-3-carboxylic acid Openeye Name: 4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-5-phenethyl-isoxazole-3-carboxylic acid CAS Name: 4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-5-phenethyl-3-isoxazolecarboxylic acid IUPAC Name: 4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-5-phenethyl-1,2-oxazole-3-carboxylic acid Traditional Name: 4-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-5-phenethyl-isoxazole-3-carboxylic acid Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=NO2)C(=O)O)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=NO2)C(=O)O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C15H16N2O5/c16-11(14(18)19)8-10-12(22-17-13(10)15(20)21)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8,16H2,(H,18,19)(H,20,21)/t11-/m0/s1