[1-[[4-[(1-cyclohexyl-4-methyl-2-oxidanylidene-pentan-3-yl)-phenylmethoxycarbonyl-amino]-1-phenyl-butyl]amino]-3-methyl-1-oxidanylidene-2-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate

Systemtic Name: [1-[[4-[(1-cyclohexyl-4-methyl-2-oxidanylidene-pentan-3-yl)-phenylmethoxycarbonyl-amino]-1-phenyl-butyl]amino]-3-methyl-1-oxidanylidene-2-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate Openeye Name: [1-(benzyloxycarbonylamino)-1-[[4-[benzyloxycarbonyl-(3-cyclohexyl-1-isopropyl-2-oxo-propyl)amino]-1-phenyl-butyl]carbamoyl]-2-methyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-[[4-[(1-cyclohexyl-4-methyl-2-oxopentan-3-yl)-phenylmethoxycarbonylamino]-1-phenylbutyl]amino]-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butan-2-yl] ester IUPAC Name: [1-[[4-[(1-cyclohexyl-4-methyl-2-oxopentan-3-yl)-phenylmethoxycarbonylamino]-1-phenylbutyl]amino]-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butan-2-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-(benzyloxycarbonylamino)-1-[[4-[carbobenzoxy-(3-cyclohexyl-1-isopropyl-2-keto-propyl)amino]-1-phenyl-butyl]carbamoyl]-2-methyl-propyl] ester Formula: C48H65N3O8 MolecularWeight: 812.045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CC1CCCCC1)N(CCCC(C2=CC=CC=C2)NC(=O)C(C(C)C)(NC(=O)OCC3=CC=CC=C3)OC(=O)C(C)(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)CC1CCCCC1)N(CCCC(C2=CC=CC=C2)NC(=O)C(C(C)C)(NC(=O)OCC3=CC=CC=C3)OC(=O)C(C)(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C48H65N3O8/c1-34(2)42(41(52)31-36-21-12-8-13-22-36)51(46(56)58-33-38-25-16-10-17-26-38)30-20-29-40(39-27-18-11-19-28-39)49-43(53)48(35(3)4,59-44(54)47(5,6)7)50-45(55)57-32-37-23-14-9-15-24-37/h9-11,14-19,23-28,34-36,40,42H,8,12-13,20-22,29-33H2,1-7H3,(H,49,53)(H,50,55)