(phenylmethyl) 4-[[2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-4-tert-butyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-ethoxy-3-oxidanylidene-propyl]sulfanylmethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-4-tert-butyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-ethoxy-3-oxidanylidene-propyl]sulfanylmethyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[[2-[1-(2-aminooxy-2-oxo-ethyl)-4-tert-butyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-ethoxy-3-oxo-propyl]sulfanylmethyl]piperidine-1-carboxylate CAS Name: 4-[[[2-[1-(2-aminooxy-2-oxoethyl)-4-tert-butyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-ethoxy-3-oxopropyl]thio]methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[2-[1-(2-aminooxy-2-oxoethyl)-4-tert-butyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-ethoxy-3-oxopropyl]sulfanylmethyl]piperidine-1-carboxylate Traditional Name: 4-[[[2-[1-(2-aminooxy-2-keto-ethyl)-4-tert-butyl-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-3-ethoxy-3-keto-propyl]thio]methyl]piperidine-1-carboxylic acid benzyl ester Formula: C35H47N3O7S MolecularWeight: 653.82858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C3C(CC4=CC=CC=C4N(C3=O)CC(=O)ON)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(CSCC1CCN(CC1)C(=O)OCC2=CC=CC=C2)C3C(CC4=CC=CC=C4N(C3=O)CC(=O)ON)C(C)(C)C

InChI

InChI=1S/C35H47N3O7S/c1-5-43-33(41)27(23-46-22-25-15-17-37(18-16-25)34(42)44-21-24-11-7-6-8-12-24)31-28(35(2,3)4)19-26-13-9-10-14-29(26)38(32(31)40)20-30(39)45-36/h6-14,25,27-28,31H,5,15-23,36H2,1-4H3