2-[2-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate

Systemtic Name: 2-[2-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate Openeye Name: 2-[8-[3-(tert-butoxycarbonylamino)propanoylamino]-2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetate CAS Name: 2-[2-methyl-8-[[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetate IUPAC Name: 2-[2-methyl-8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Traditional Name: 2-[8-[3-(tert-butoxycarbonylamino)propanoylamino]-3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Formula: C21H28N3O6- MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NC1=CC2=C(CC(C(=O)N(C2)C)CC(=O)[O-])C=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NC1=CC2=C(CC(C(=O)N(C2)C)CC(=O)[O-])C=C1

InChI

InChI=1S/C21H29N3O6/c1-21(2,3)30-20(29)22-8-7-17(25)23-16-6-5-13-9-14(11-18(26)27)19(28)24(4)12-15(13)10-16/h5-6,10,14H,7-9,11-12H2,1-4H3,(H,22,29)(H,23,25)(H,26,27)/p-1