(11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (11-aminocarbonyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) ester IUPAC Name: (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyric acid (11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O5/c1-15(2)21(27-24(31)33-25(3,4)5)22(29)32-20-14-16-10-6-8-12-18(16)28(23(26)30)19-13-9-7-11-17(19)20/h6-13,15,20-21H,14H2,1-5H3,(H2,26,30)(H,27,31)/t20?,21-/m0/s1