2-[[1-(2-azanylethanoyl)-4-fluoranyl-pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[1-(2-azanylethanoyl)-4-fluoranyl-pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[1-(2-aminoacetyl)-4-fluoro-pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[[1-(2-amino-1-oxoethyl)-4-fluoro-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[1-(2-aminoacetyl)-4-fluoropyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(4-fluoro-1-glycyl-prolyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C18H21FN4O4 MolecularWeight: 376.382143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)CN)F

Isomeric SMILES

C1C(CN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)CN)F

InChI

InChI=1S/C18H21FN4O4/c19-11-6-15(23(9-11)16(24)7-20)17(25)22-14(18(26)27)5-10-8-21-13-4-2-1-3-12(10)13/h1-4,8,11,14-15,21H,5-7,9,20H2,(H,22,25)(H,26,27)