tert-butyl N-[1-[[1-[[1-cyclohexyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-methyl-3-oxidanyl-octan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[[1-[[1-cyclohexyl-5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-methyl-3-oxidanyl-octan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[[2-[[1-(cyclohexylmethyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-hydroxy-6-methyl-heptyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-[[1-cyclohexyl-5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-hydroxy-7-methyloctan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-[[1-cyclohexyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-hydroxy-7-methyloctan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[[2-[[1-(cyclohexylmethyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-hydroxy-6-methyl-heptyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C45H64N6O6 MolecularWeight: 785.02626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(C)CC(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C45H64N6O6/c1-30(2)22-35(43(55)51-21-20-33-18-12-13-19-34(33)28-51)25-40(52)37(23-31-14-8-6-9-15-31)48-42(54)39(26-36-27-46-29-47-36)49-41(53)38(24-32-16-10-7-11-17-32)50-44(56)57-45(3,4)5/h7,10-13,16-19,27,29-31,35,37-40,52H,6,8-9,14-15,20-26,28H2,1-5H3,(H,46,47)(H,48,54)(H,49,53)(H,50,56)