(2S)-2-azanyl-3-[3-ethoxycarbonyl-5-[(2S)-2-oxidanyl-2-phenyl-ethyl]-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-ethoxycarbonyl-5-[(2S)-2-oxidanyl-2-phenyl-ethyl]-1,2-oxazol-4-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[3-ethoxycarbonyl-5-[(2S)-2-hydroxy-2-phenyl-ethyl]isoxazol-4-yl]propanoic acid CAS Name: (2S)-2-amino-3-[3-ethoxycarbonyl-5-[(2S)-2-hydroxy-2-phenylethyl]-4-isoxazolyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-ethoxycarbonyl-5-[(2S)-2-hydroxy-2-phenylethyl]-1,2-oxazol-4-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[3-carbethoxy-5-[(2S)-2-hydroxy-2-phenyl-ethyl]isoxazol-4-yl]propionic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1CC(C(=O)O)N)CC(C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C[C@@H](C(=O)O)N)C[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C17H20N2O6/c1-2-24-17(23)15-11(8-12(18)16(21)22)14(25-19-15)9-13(20)10-6-4-3-5-7-10/h3-7,12-13,20H,2,8-9,18H2,1H3,(H,21,22)/t12-,13-/m0/s1