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

Systemtic Name: tert-butyl N-[4-[[(3R)-1-[[4-(2-isocyanatophenyl)phenyl]methyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-2-methyl-4-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-[[(3R)-1-[[4-(2-isocyanatophenyl)phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-1,1-dimethyl-3-oxo-propyl]carbamate CAS Name: N-[4-[[(3R)-1-[[4-(2-isocyanatophenyl)phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-2-methyl-4-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[(3R)-1-[[4-(2-isocyanatophenyl)phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-2-methyl-4-oxobutan-2-yl]carbamate Traditional Name: N-[3-[[(3R)-1-[4-(2-isocyanatophenyl)benzyl]-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-keto-1,1-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C34H38N4O5 MolecularWeight: 582.68932

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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=C(C=C3)C4=CC=CC=C4N=C=O

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=CC=CC=C4N=C=O

InChI

InChI=1S/C34H38N4O5/c1-33(2,3)43-32(42)37-34(4,5)20-30(40)36-28-19-18-25-10-6-9-13-29(25)38(31(28)41)21-23-14-16-24(17-15-23)26-11-7-8-12-27(26)35-22-39/h6-17,28H,18-21H2,1-5H3,(H,36,40)(H,37,42)/t28-/m1/s1