tert-butyl N-[(2S)-1-(5-azanyl-7-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(5-azanyl-7-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(5-amino-7-methyl-6-oxo-7H-benzo[d][1]benzazepine-1-carbonyl)-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-(5-amino-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(5-amino-7-methyl-6-oxo-7H-benzo[d][1]benzazepin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(5-amino-6-keto-7-methyl-7H-benzo[d][1]benzazepine-1-carbonyl)-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C3=C(C=CC=C3N(C1=O)N)C(=O)C(C(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C2=CC=CC=C2C3=C(C=CC=C3N(C1=O)N)C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O4/c1-14(2)21(27-24(31)32-25(4,5)6)22(29)18-12-9-13-19-20(18)17-11-8-7-10-16(17)15(3)23(30)28(19)26/h7-15,21H,26H2,1-6H3,(H,27,31)/t15?,21-/m0/s1