tert-butyl N-[2-methyl-4-oxidanylidene-4-[[(3R)-2-oxidanylidene-1-[[3-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[2-methyl-4-oxidanylidene-4-[[(3R)-2-oxidanylidene-1-[[3-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]butan-2-yl]carbamate Openeye Name: tert-butyl N-[1,1-dimethyl-3-oxo-3-[[(3R)-2-oxo-1-[[3-[2-(2-trityltetrazol-5-yl)phenyl]isoxazol-5-yl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]propyl]carbamate CAS Name: N-[2-methyl-4-oxo-4-[[(3R)-2-oxo-1-[[3-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]-5-isoxazolyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-methyl-4-oxo-4-[[(3R)-2-oxo-1-[[3-[2-(2-trityltetrazol-5-yl)phenyl]-1,2-oxazol-5-yl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]butan-2-yl]carbamate Traditional Name: N-[3-keto-3-[[(3R)-2-keto-1-[[3-[2-(2-trityltetrazol-5-yl)phenyl]isoxazol-5-yl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-1,1-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C50H50N8O5 MolecularWeight: 842.9826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC(=NO3)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC(=NO3)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C50H50N8O5/c1-48(2,3)62-47(61)52-49(4,5)32-44(59)51-41-30-29-34-19-15-18-28-43(34)57(46(41)60)33-38-31-42(55-63-38)39-26-16-17-27-40(39)45-53-56-58(54-45)50(35-20-9-6-10-21-35,36-22-11-7-12-23-36)37-24-13-8-14-25-37/h6-28,31,41H,29-30,32-33H2,1-5H3,(H,51,59)(H,52,61)/t41-/m1/s1