(phenylmethyl) 4-[2-[[2-[4-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hept-6-en-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[[2-[4-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hept-6-en-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxidanylidene-ethyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-ethyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-[[2-[4-[1-[2-(allylamino)-2-oxo-acetyl]pent-4-enylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxo-ethyl]amino]-1-(tert-butoxycarbonylamino)-2-oxo-ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[[1-cyclohexyl-2-[4-[[[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]amino]-oxomethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]amino]-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxoethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-[[1-cyclohexyl-2-[4-[[1,2-dioxo-1-(prop-2-enylamino)hept-6-en-3-yl]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]amino]-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-[4-[1-[2-(allylamino)-2-keto-acetyl]pent-4-enylcarbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-keto-ethyl]amino]-1-(tert-butoxycarbonylamino)-2-keto-ethyl]piperidine-1-carboxylic acid benzyl ester Formula: C46H66N6O9 MolecularWeight: 847.05104

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C3CCCCC3)NC(=O)C(C4CCN(CC4)C(=O)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C)C(=O)NC(CCC=C)C(=O)C(=O)NCC=C)C

Isomeric SMILES

CC1(C2C1C(N(C2)C(=O)C(C3CCCCC3)NC(=O)C(C4CCN(CC4)C(=O)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C)C(=O)NC(CCC=C)C(=O)C(=O)NCC=C)C

InChI

InChI=1S/C46H66N6O9/c1-8-10-21-33(38(53)41(56)47-24-9-2)48-40(55)37-34-32(46(34,6)7)27-52(37)42(57)36(30-19-15-12-16-20-30)49-39(54)35(50-43(58)61-45(3,4)5)31-22-25-51(26-23-31)44(59)60-28-29-17-13-11-14-18-29/h8-9,11,13-14,17-18,30-37H,1-2,10,12,15-16,19-28H2,3-7H3,(H,47,56)(H,48,55)(H,49,54)(H,50,58)