tert-butyl N-[1-[[1-[[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[1-[[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[[1-benzyl-2-[[1-[(E)-N,N'-bis(benzyloxycarbonyl)carbamimidoyl]-4-piperidyl]amino]-2-oxo-ethyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamate CAS Name: (NE)-N-[[4-[[2-[[3-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-piperidinyl]-(phenylmethoxycarbonylamino)methylidene]carbamic acid (phenylmethyl) ester IUPAC Name: tert-butyl N-[1-[[1-[[1-[(E)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[1-benzyl-2-[[1-[(E)-N,N'-dicarbobenzoxyamidino]-4-piperidyl]amino]-2-keto-ethyl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C45H58N6O8 MolecularWeight: 810.97742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCN(CC3)/C(=N/C(=O)OCC4=CC=CC=C4)/NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C45H58N6O8/c1-45(2,3)59-44(56)48-38(29-33-18-10-5-11-19-33)40(53)47-37(28-32-16-8-4-9-17-32)39(52)46-36-24-26-51(27-25-36)41(49-42(54)57-30-34-20-12-6-13-21-34)50-43(55)58-31-35-22-14-7-15-23-35/h4,6-9,12-17,20-23,33,36-38H,5,10-11,18-19,24-31H2,1-3H3,(H,46,52)(H,47,53)(H,48,56)(H,49,50,54,55)