tert-butyl N-[(2S)-1-oxidanylidene-1-[(6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)amino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-1-[(6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-methyl-2-oxo-2-[(6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[(6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-oxo-1-[(6-oxo-7H-benzo[d][1]benzazepin-5-yl)amino]propan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-2-[(6-keto-7H-benzo[d][1]benzazepin-5-yl)amino]-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1C(=O)CC2=CC=CC=C2C3=CC=CC=C31)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NN1C(=O)CC2=CC=CC=C2C3=CC=CC=C31)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H25N3O4/c1-14(23-21(28)29-22(2,3)4)20(27)24-25-18-12-8-7-11-17(18)16-10-6-5-9-15(16)13-19(25)26/h5-12,14H,13H2,1-4H3,(H,23,28)(H,24,27)/t14-/m0/s1