N-[1-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-(2-phenylmethoxyethylsulfonylamino)propan-2-yl]amino]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-oxidanylidene-propan-2-yl]-N,3,5-trimethyl-benzamide

Systemtic Name: N-[1-[[3-(1H-indol-3-yl)-1-oxidanylidene-1-(2-phenylmethoxyethylsulfonylamino)propan-2-yl]amino]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-oxidanylidene-propan-2-yl]-N,3,5-trimethyl-benzamide Openeye Name: N-[2-[[2-(2-benzyloxyethylsulfonylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-[(4-isoxazol-5-ylphenyl)methyl]-2-oxo-ethyl]-N,3,5-trimethyl-benzamide CAS Name: N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(2-phenylmethoxyethylsulfonylamino)propan-2-yl]amino]-3-[4-(5-isoxazolyl)phenyl]-1-oxopropan-2-yl]-N,3,5-trimethylbenzamide IUPAC Name: N-[1-[[3-(1H-indol-3-yl)-1-oxo-1-(2-phenylmethoxyethylsulfonylamino)propan-2-yl]amino]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-oxopropan-2-yl]-N,3,5-trimethylbenzamide Traditional Name: N-[2-[[2-(2-benzoxyethylsulfonylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-1-(4-isoxazol-5-ylbenzyl)-2-keto-ethyl]-N,3,5-trimethyl-benzamide Formula: C42H43N5O7S MolecularWeight: 761.88512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)C3=CC=NO3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NS(=O)(=O)CCOCC6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)C3=CC=NO3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NS(=O)(=O)CCOCC6=CC=CC=C6)C

InChI

InChI=1S/C42H43N5O7S/c1-28-21-29(2)23-33(22-28)42(50)47(3)38(24-30-13-15-32(16-14-30)39-17-18-44-54-39)41(49)45-37(25-34-26-43-36-12-8-7-11-35(34)36)40(48)46-55(51,52)20-19-53-27-31-9-5-4-6-10-31/h4-18,21-23,26,37-38,43H,19-20,24-25,27H2,1-3H3,(H,45,49)(H,46,48)