(2-cyclohexyl-2-oxidanylidene-ethyl) (2S)-2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2-cyclohexyl-2-oxidanylidene-ethyl) (2S)-2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2-cyclohexyl-2-oxo-ethyl) (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(4-fluorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (2-cyclohexyl-2-oxoethyl) ester IUPAC Name: (2-cyclohexyl-2-oxoethyl) (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid (2-cyclohexyl-2-keto-ethyl) ester Formula: C26H27FN2O4 MolecularWeight: 450.501983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)C(=O)COC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2O4/c27-20-12-10-18(11-13-20)25(31)29-23(14-19-15-28-22-9-5-4-8-21(19)22)26(32)33-16-24(30)17-6-2-1-3-7-17/h4-5,8-13,15,17,23,28H,1-3,6-7,14,16H2,(H,29,31)/t23-/m0/s1