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

Systemtic Name: tert-butyl 3-[[1-cyclohexyl-5-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: tert-butyl 3-[[1-cyclohexyl-5-[2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-cyclohexyl-5-[2-(2,5-dimethyl-3-thiophenyl)-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-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-cyclohexyl-5-[2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl]-4-keto-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid tert-butyl ester Formula: C35H42N4O5S MolecularWeight: 630.79678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)OC(C)(C)C)C5CCCCC5

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)OC(C)(C)C)C5CCCCC5

InChI

InChI=1S/C35H42N4O5S/c1-22-18-27(23(2)45-22)31(40)21-39-30-17-10-9-16-29(30)38(26-14-7-6-8-15-26)20-28(32(39)41)37-34(43)36-25-13-11-12-24(19-25)33(42)44-35(3,4)5/h9-13,16-19,26,28H,6-8,14-15,20-21H2,1-5H3,(H2,36,37,43)