tert-butyl N-[4-[[(3R)-1-[[4-(2-aminophenyl)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-aminophenyl)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-aminophenyl)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-aminophenyl)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-aminophenyl)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-aminophenyl)benzyl]-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-3-keto-1,1-dimethyl-propyl]carbamic acid tert-butyl ester Formula: C33H40N4O4 MolecularWeight: 556.6951

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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

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

InChI

InChI=1S/C33H40N4O4/c1-32(2,3)41-31(40)36-33(4,5)20-29(38)35-27-19-18-24-10-6-9-13-28(24)37(30(27)39)21-22-14-16-23(17-15-22)25-11-7-8-12-26(25)34/h6-17,27H,18-21,34H2,1-5H3,(H,35,38)(H,36,40)/t27-/m1/s1