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

Systemtic Name: tert-butyl N-[1-[[(1R)-2-(1H-indol-3-yl)-1-[4-phenethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]ethyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[(1R)-1-(5-benzyl-4-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)-2-(1H-indol-3-yl)-1-[4-phenethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[(1R)-1-(5-benzyl-4-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-(5-benzyl-4-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: C36H42N6O3 MolecularWeight: 606.75708

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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(N3CCC4=CC=CC=C4)CC5=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(N3CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C36H42N6O3/c1-35(2,3)45-34(44)39-36(4,5)33(43)38-30(23-27-24-37-29-19-13-12-18-28(27)29)32-41-40-31(22-26-16-10-7-11-17-26)42(32)21-20-25-14-8-6-9-15-25/h6-19,24,30,37H,20-23H2,1-5H3,(H,38,43)(H,39,44)/t30-/m1/s1