(2S,3R)-3-(1,3-benzodioxol-5-yl)-3-oxidanyl-2-(2-phenylethanoylamino)propanoic acid

Systemtic Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-3-oxidanyl-2-(2-phenylethanoylamino)propanoic acid Openeye Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(2-phenylacetyl)amino]propanoic acid CAS Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(1-oxo-2-phenylethyl)amino]propanoic acid IUPAC Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(2-phenylacetyl)amino]propanoic acid Traditional Name: (2S,3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(2-phenylacetyl)amino]propionic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)NC(=O)CC3=CC=CC=C3)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H]([C@@H](C(=O)O)NC(=O)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H17NO6/c20-15(8-11-4-2-1-3-5-11)19-16(18(22)23)17(21)12-6-7-13-14(9-12)25-10-24-13/h1-7,9,16-17,21H,8,10H2,(H,19,20)(H,22,23)/t16-,17+/m0/s1