tert-butyl N-[(2S)-1-[(4-methyl-5-oxidanylidene-1-phenyl-1,4-diazepin-6-yl)amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(4-methyl-5-oxidanylidene-1-phenyl-1,4-diazepin-6-yl)amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-methyl-2-[(4-methyl-5-oxo-1-phenyl-1,4-diazepin-6-yl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[(4-methyl-5-oxo-1-phenyl-1,4-diazepin-6-yl)amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[(4-methyl-5-oxo-1-phenyl-1,4-diazepin-6-yl)amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-2-[(5-keto-4-methyl-1-phenyl-1,4-diazepin-6-yl)amino]-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN(C=CN(C1=O)C)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CN(C=CN(C1=O)C)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N4O4/c1-14(21-19(27)28-20(2,3)4)17(25)22-16-13-24(12-11-23(5)18(16)26)15-9-7-6-8-10-15/h6-14H,1-5H3,(H,21,27)(H,22,25)/t14-/m0/s1