(2S)-3-(5-fluoranyl-1H-indol-3-yl)-2-(quinolin-3-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(5-fluoranyl-1H-indol-3-yl)-2-(quinolin-3-ylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-(5-fluoro-1H-indol-3-yl)-2-(3-quinolylmethoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(5-fluoro-1H-indol-3-yl)-2-[[oxo(3-quinolinylmethoxy)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-fluoro-1H-indol-3-yl)-2-(quinolin-3-ylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-(5-fluoro-1H-indol-3-yl)-2-(3-quinolylmethoxycarbonylamino)propionic acid Formula: C22H18FN3O4 MolecularWeight: 407.394423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)COC(=O)NC(CC3=CNC4=C3C=C(C=C4)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)COC(=O)N[C@@H](CC3=CNC4=C3C=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H18FN3O4/c23-16-5-6-19-17(9-16)15(11-25-19)8-20(21(27)28)26-22(29)30-12-13-7-14-3-1-2-4-18(14)24-10-13/h1-7,9-11,20,25H,8,12H2,(H,26,29)(H,27,28)/t20-/m0/s1