tert-butyl N-[1-[[2-chloranyl-5-[1-(2,4-dimethylphenoxy)pentoxymethylamino]phenyl]amino]-2-[4-ethoxy-2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]-N-[4-[ethyl-[2-(methylsulfonylamino)ethyl]amino]-2-methyl-phenyl]carbamate

Systemtic Name: tert-butyl N-[1-[[2-chloranyl-5-[1-(2,4-dimethylphenoxy)pentoxymethylamino]phenyl]amino]-2-[4-ethoxy-2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]-N-[4-[ethyl-[2-(methylsulfonylamino)ethyl]amino]-2-methyl-phenyl]carbamate Openeye Name: tert-butyl N-[1-(3-benzyl-4-ethoxy-2,5-dioxo-imidazolidin-1-yl)-1-[[2-chloro-5-[1-(2,4-dimethylphenoxy)pentoxymethylamino]phenyl]carbamoyl]-3,3-dimethyl-2-oxo-butyl]-N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methyl-phenyl]carbamate CAS Name: N-[1-[2-chloro-5-[1-(2,4-dimethylphenoxy)pentoxymethylamino]anilino]-2-[4-ethoxy-2,5-dioxo-3-(phenylmethyl)-1-imidazolidinyl]-4,4-dimethyl-1,3-dioxopentan-2-yl]-N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-1-[2-chloro-5-[1-(2,4-dimethylphenoxy)pentoxymethylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]-N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]carbamate Traditional Name: N-[1-(3-benzyl-4-ethoxy-2,5-diketo-imidazolidin-1-yl)-1-[[2-chloro-5-[1-(2,4-dimethylphenoxy)pentoxymethylamino]phenyl]carbamoyl]-2-keto-3,3-dimethyl-butyl]-N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methyl-phenyl]carbamic acid tert-butyl ester Formula: C56H76ClN7O11S MolecularWeight: 1090.76094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(OCNC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)(N2C(=O)C(N(C2=O)CC3=CC=CC=C3)OCC)N(C4=C(C=C(C=C4)N(CC)CCNS(=O)(=O)C)C)C(=O)OC(C)(C)C)OC5=C(C=C(C=C5)C)C

Isomeric SMILES

CCCCC(OCNC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)(N2C(=O)C(N(C2=O)CC3=CC=CC=C3)OCC)N(C4=C(C=C(C=C4)N(CC)CCNS(=O)(=O)C)C)C(=O)OC(C)(C)C)OC5=C(C=C(C=C5)C)C

InChI

InChI=1S/C56H76ClN7O11S/c1-14-17-23-47(74-46-29-24-37(4)32-39(46)6)73-36-58-41-25-27-43(57)44(34-41)60-51(67)56(50(66)54(7,8)9,64-48(65)49(72-16-3)62(52(64)68)35-40-21-19-18-20-22-40)63(53(69)75-55(10,11)12)45-28-26-42(33-38(45)5)61(15-2)31-30-59-76(13,70)71/h18-22,24-29,32-34,47,49,58-59H,14-17,23,30-31,35-36H2,1-13H3,(H,60,67)