5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-[3,5-bis(oxidanylidene)-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide

Systemtic Name: 5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-[3,5-bis(oxidanylidene)-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-N-phenyl-pentanamide Openeye Name: 2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-5-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]-2-chloro-4,4-dimethyl-3-oxo-N-phenyl-pentanamide CAS Name: 5-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-2-chloro-2-[3,5-dioxo-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-4,4-dimethyl-3-oxo-N-phenylpentanamide IUPAC Name: 2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloro-4,4-dimethyl-3-oxo-N-phenylpentanamide Traditional Name: 2-(1-benzyl-3,5-diketo-2-phenyl-1,2,4-triazolidin-4-yl)-2-chloro-5-[4-(2,4-ditert-amylphenoxy)butanoylamino]-3-keto-4,4-dimethyl-N-phenyl-valeramide Formula: C48H58ClN5O6 MolecularWeight: 836.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NCC(C)(C)C(=O)C(C(=O)NC2=CC=CC=C2)(N3C(=O)N(N(C3=O)C4=CC=CC=C4)CC5=CC=CC=C5)Cl)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NCC(C)(C)C(=O)C(C(=O)NC2=CC=CC=C2)(N3C(=O)N(N(C3=O)C4=CC=CC=C4)CC5=CC=CC=C5)Cl)C(C)(C)CC

InChI

InChI=1S/C48H58ClN5O6/c1-9-45(3,4)35-28-29-39(38(31-35)46(5,6)10-2)60-30-20-27-40(55)50-33-47(7,8)41(56)48(49,42(57)51-36-23-16-12-17-24-36)53-43(58)52(32-34-21-14-11-15-22-34)54(44(53)59)37-25-18-13-19-26-37/h11-19,21-26,28-29,31H,9-10,20,27,30,32-33H2,1-8H3,(H,50,55)(H,51,57)