tert-butyl 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate

Systemtic Name: tert-butyl 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: tert-butyl 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-cyclohexyl-5-(2-cyclohexyl-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-cyclohexyl-5-(2-cyclohexyl-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid tert-butyl ester Formula: C35H46N4O5 MolecularWeight: 602.76354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4CCCCC4)C5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C35H46N4O5/c1-35(2,3)44-33(42)25-15-12-16-26(21-25)36-34(43)37-28-22-38(27-17-8-5-9-18-27)29-19-10-11-20-30(29)39(32(28)41)23-31(40)24-13-6-4-7-14-24/h10-12,15-16,19-21,24,27-28H,4-9,13-14,17-18,22-23H2,1-3H3,(H2,36,37,43)