(2R)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-(6-fluoranyl-1H-indol-2-yl)propanoic acid

Systemtic Name: (2R)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylamino)-3-(6-fluoranyl-1H-indol-2-yl)propanoic acid Openeye Name: (2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-(6-fluoro-1H-indol-2-yl)propanoic acid CAS Name: (2R)-2-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]amino]-3-(6-fluoro-1H-indol-2-yl)propanoic acid IUPAC Name: (2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-(6-fluoro-1H-indol-2-yl)propanoic acid Traditional Name: (2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-3-(6-fluoro-1H-indol-2-yl)propionic acid Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC(CC3=CC4=C(N3)C=C(C=C4)F)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)N[C@H](CC3=CC4=C(N3)C=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H20FN3O3/c22-16-6-5-14-9-17(23-18(14)10-16)11-19(20(26)27)24-21(28)25-8-7-13-3-1-2-4-15(13)12-25/h1-6,9-10,19,23H,7-8,11-12H2,(H,24,28)(H,26,27)/t19-/m1/s1