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

Systemtic Name: tert-butyl 3-[[1-cyclohexyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: tert-butyl 3-[[1-cyclohexyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-cyclohexyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-cyclohexyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-cyclohexyl-4-keto-5-[2-keto-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid tert-butyl ester Formula: C33H38N4O5S MolecularWeight: 602.74362

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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)C4=CC=CS4)C5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CS4)C5CCCCC5

InChI

InChI=1S/C33H38N4O5S/c1-33(2,3)42-31(40)22-11-9-12-23(19-22)34-32(41)35-25-20-36(24-13-5-4-6-14-24)26-15-7-8-16-27(26)37(30(25)39)21-28(38)29-17-10-18-43-29/h7-12,15-19,24-25H,4-6,13-14,20-21H2,1-3H3,(H2,34,35,41)