tert-butyl N-[1-[[(1R)-1-[4-[(4-fluorophenyl)methyl]-5-phenethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[(1R)-1-[4-[(4-fluorophenyl)methyl]-5-phenethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[(1R)-1-[4-[(4-fluorophenyl)methyl]-5-phenethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[(1R)-1-[4-[(4-fluorophenyl)methyl]-5-phenethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[(1R)-1-[4-[(4-fluorophenyl)methyl]-5-phenethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[(1R)-1-[4-(4-fluorobenzyl)-5-phenethyl-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amino]-2-keto-1,1-dimethyl-ethyl]carbamic acid tert-butyl ester Formula: C36H41FN6O3 MolecularWeight: 624.747543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C3=NN=C(N3CC4=CC=C(C=C4)F)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C3=NN=C(N3CC4=CC=C(C=C4)F)CCC5=CC=CC=C5

InChI

InChI=1S/C36H41FN6O3/c1-35(2,3)46-34(45)40-36(4,5)33(44)39-30(21-26-22-38-29-14-10-9-13-28(26)29)32-42-41-31(20-17-24-11-7-6-8-12-24)43(32)23-25-15-18-27(37)19-16-25/h6-16,18-19,22,30,38H,17,20-21,23H2,1-5H3,(H,39,44)(H,40,45)/t30-/m1/s1