tert-butyl N-[1-[2-azanyl-3-fluoranyl-4-(phenylcarbonyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-azanyl-3-fluoranyl-4-(phenylcarbonyl)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(2-amino-4-benzoyl-3-fluoro-phenyl)-1-[(tert-butoxycarbonylamino)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-(2-amino-4-benzoyl-3-fluorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-amino-4-benzoyl-3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[3-(2-amino-4-benzoyl-3-fluoro-phenyl)-2-(tert-butoxycarbonylamino)-3-keto-propyl]carbamic acid tert-butyl ester Formula: C26H32FN3O6 MolecularWeight: 501.547183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C(=O)C1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)F)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C(=O)C1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)F)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H32FN3O6/c1-25(2,3)35-23(33)29-14-18(30-24(34)36-26(4,5)6)22(32)17-13-12-16(19(27)20(17)28)21(31)15-10-8-7-9-11-15/h7-13,18H,14,28H2,1-6H3,(H,29,33)(H,30,34)