tert-butyl 4-[4-[3-[[1-cyclohexyl-3,4-bis(oxidanyl)-6-pyridin-2-yl-hexan-2-yl]amino]-3-oxidanylidene-propyl]imidazol-4-yl]-3-oxidanylidene-2-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-[[1-cyclohexyl-3,4-bis(oxidanyl)-6-pyridin-2-yl-hexan-2-yl]amino]-3-oxidanylidene-propyl]imidazol-4-yl]-3-oxidanylidene-2-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-benzyl-4-[4-[3-[[1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridyl)pentyl]amino]-3-oxo-propyl]imidazol-4-yl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[4-[3-[[1-cyclohexyl-3,4-dihydroxy-6-(2-pyridinyl)hexan-2-yl]amino]-3-oxopropyl]-4-imidazolyl]-3-oxo-2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-4-[4-[3-[(1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl)amino]-3-oxopropyl]imidazol-4-yl]-3-oxopiperazine-1-carboxylate Traditional Name: 2-benzyl-4-[4-[3-[[1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridyl)pentyl]amino]-3-keto-propyl]imidazol-4-yl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C39H54N6O6 MolecularWeight: 702.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)C3(C=NC=N3)CCC(=O)NC(CC4CCCCC4)C(C(CCC5=CC=CC=N5)O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1CC2=CC=CC=C2)C3(C=NC=N3)CCC(=O)NC(CC4CCCCC4)C(C(CCC5=CC=CC=N5)O)O

InChI

InChI=1S/C39H54N6O6/c1-38(2,3)51-37(50)44-22-23-45(36(49)32(44)25-29-14-8-5-9-15-29)39(26-40-27-42-39)20-19-34(47)43-31(24-28-12-6-4-7-13-28)35(48)33(46)18-17-30-16-10-11-21-41-30/h5,8-11,14-16,21,26-28,31-33,35,46,48H,4,6-7,12-13,17-20,22-25H2,1-3H3,(H,43,47)