propan-2-yl 3-[2-[(4-fluorophenyl)methylcarbamoylamino]ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-[(4-fluorophenyl)methylcarbamoylamino]ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-[(4-fluorobenzyl)carbamoylamino]acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H25FN4O6 MolecularWeight: 460.455503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CNC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CNC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C22H25FN4O6/c1-14(2)33-21(29)11-18(17-5-3-4-6-19(17)27(31)32)26-20(28)13-25-22(30)24-12-15-7-9-16(23)10-8-15/h3-10,14,18H,11-13H2,1-2H3,(H,26,28)(H2,24,25,30)