tert-butyl N-[1-[[(1R)-2-(1H-indol-3-yl)-1-[5-(1H-indol-3-ylmethyl)-4-phenethyl-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-[5-(1H-indol-3-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]ethyl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[(1R)-2-(1H-indol-3-yl)-1-[5-(1H-indol-3-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]ethyl]amino]-1,1-dimethyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[[(1R)-2-(1H-indol-3-yl)-1-[5-(1H-indol-3-ylmethyl)-4-phenethyl-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)-2-(1H-indol-3-yl)-1-[5-(1H-indol-3-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]ethyl]amino]-2-methyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[(1R)-2-(1H-indol-3-yl)-1-[5-(1H-indol-3-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]ethyl]amino]-2-keto-1,1-dimethyl-ethyl]carbamic acid tert-butyl ester Formula: C38H43N7O3 MolecularWeight: 645.79312

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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=CNC6=CC=CC=C65

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=CNC6=CC=CC=C65

InChI

InChI=1S/C38H43N7O3/c1-37(2,3)48-36(47)42-38(4,5)35(46)41-32(21-26-23-39-30-17-11-9-15-28(26)30)34-44-43-33(45(34)20-19-25-13-7-6-8-14-25)22-27-24-40-31-18-12-10-16-29(27)31/h6-18,23-24,32,39-40H,19-22H2,1-5H3,(H,41,46)(H,42,47)/t32-/m1/s1