tert-butyl N-[2-methyl-4-oxidanylidene-4-[[(3R)-2-oxidanylidene-1-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]thiophen-3-yl]phenyl]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-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]thiophen-3-yl]phenyl]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-[[4-[2-(2-trityltetrazol-5-yl)-3-thienyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]propyl]carbamate CAS Name: N-[2-methyl-4-oxo-4-[[(3R)-2-oxo-1-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]-3-thiophenyl]phenyl]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-[[4-[2-(2-trityltetrazol-5-yl)thiophen-3-yl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]butan-2-yl]carbamate Traditional Name: N-[3-keto-3-[[(3R)-2-keto-1-[4-[2-(2-trityltetrazol-5-yl)-3-thienyl]benzyl]-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-1,1-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C51H51N7O4S MolecularWeight: 858.06014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=C(SC=C4)C5=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=C(C=C3)C4=C(SC=C4)C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C51H51N7O4S/c1-49(2,3)62-48(61)53-50(4,5)33-44(59)52-42-30-29-37-17-15-16-24-43(37)57(47(42)60)34-35-25-27-36(28-26-35)41-31-32-63-45(41)46-54-56-58(55-46)51(38-18-9-6-10-19-38,39-20-11-7-12-21-39)40-22-13-8-14-23-40/h6-28,31-32,42H,29-30,33-34H2,1-5H3,(H,52,59)(H,53,61)/t42-/m1/s1