(phenylmethyl) 3-[[1-(2,2-dimethylpropanoyl)-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate

Systemtic Name: (phenylmethyl) 3-[[1-(2,2-dimethylpropanoyl)-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: benzyl 3-[[1-(2,2-dimethylpropanoyl)-5-[2-[(1-methyl-4-piperidyl)amino]-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-(2,2-dimethyl-1-oxopropyl)-5-[2-[(1-methyl-4-piperidinyl)amino]-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[1-(2,2-dimethylpropanoyl)-5-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[4-keto-5-[2-keto-2-[(1-methyl-4-piperidyl)amino]ethyl]-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid benzyl ester Formula: C37H44N6O6 MolecularWeight: 668.78186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)NC3CCN(CC3)C)NC(=O)NC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)NC3CCN(CC3)C)NC(=O)NC4=CC=CC(=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C37H44N6O6/c1-37(2,3)35(47)43-22-29(40-36(48)39-28-14-10-13-26(21-28)34(46)49-24-25-11-6-5-7-12-25)33(45)42(30-15-8-9-16-31(30)43)23-32(44)38-27-17-19-41(4)20-18-27/h5-16,21,27,29H,17-20,22-24H2,1-4H3,(H,38,44)(H2,39,40,48)