tert-butyl N-[2-[[2-[2-[(1R)-2-(1H-indol-3-yl)-1-[(4-piperidin-1-ylpiperidin-1-yl)carbonylamino]ethyl]-1H-imidazol-5-yl]-2-methyl-propanoyl]amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[2-[2-[(1R)-2-(1H-indol-3-yl)-1-[(4-piperidin-1-ylpiperidin-1-yl)carbonylamino]ethyl]-1H-imidazol-5-yl]-2-methyl-propanoyl]amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[2-[2-[(1R)-2-(1H-indol-3-yl)-1-[[4-(1-piperidyl)piperidine-1-carbonyl]amino]ethyl]-1H-imidazol-5-yl]-2-methyl-propanoyl]amino]ethyl]carbamate CAS Name: N-[2-[[2-[2-[(1R)-2-(1H-indol-3-yl)-1-[[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]amino]ethyl]-1H-imidazol-5-yl]-2-methyl-1-oxopropyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[2-[2-[(1R)-2-(1H-indol-3-yl)-1-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]ethyl]-1H-imidazol-5-yl]-2-methylpropanoyl]amino]ethyl]carbamate Traditional Name: N-[2-[[2-[2-[(1R)-2-(1H-indol-3-yl)-1-[(4-piperidinopiperidine-1-carbonyl)amino]ethyl]-1H-imidazol-5-yl]-2-methyl-propanoyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C35H52N8O4 MolecularWeight: 648.83858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=O)C(C)(C)C1=CN=C(N1)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCC(CC4)N5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=O)C(C)(C)C1=CN=C(N1)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)N4CCC(CC4)N5CCCCC5

InChI

InChI=1S/C35H52N8O4/c1-34(2,3)47-33(46)37-16-15-36-31(44)35(4,5)29-23-39-30(41-29)28(21-24-22-38-27-12-8-7-11-26(24)27)40-32(45)43-19-13-25(14-20-43)42-17-9-6-10-18-42/h7-8,11-12,22-23,25,28,38H,6,9-10,13-21H2,1-5H3,(H,36,44)(H,37,46)(H,39,41)(H,40,45)/t28-/m1/s1