tert-butyl N-[1-[[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[[1-(2-cyclohexyl-2-oxo-ethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[[1-(2-cyclohexyl-2-keto-ethyl)-5-ethyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C34H44N4O5 MolecularWeight: 588.73696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C34H44N4O5/c1-6-26-25-19-13-14-22(2)29(25)38(21-28(39)24-17-11-8-12-18-24)32(41)30(35-26)37-31(40)27(20-23-15-9-7-10-16-23)36-33(42)43-34(3,4)5/h7,9-10,13-16,19,24,27,30H,6,8,11-12,17-18,20-21H2,1-5H3,(H,36,42)(H,37,40)