N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxy-phenyl]-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-5-oxidanyl-3-oxidanylidene-pentanamide

Systemtic Name: N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxy-phenyl]-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-5-oxidanyl-3-oxidanylidene-pentanamide Openeye Name: N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxy-phenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxo-pentanamide CAS Name: N-[2-[[4-(2,4-dimethylphenoxy)-1-oxobutyl]amino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide IUPAC Name: N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide Traditional Name: N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxy-phenyl]-5-hydroxy-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-3-keto-4-methyl-4-methylol-valeramide Formula: C38H42N2O11S MolecularWeight: 734.81188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(C=C2)OC)NC(=O)C(C(=O)C(C)(CO)CO)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C=C(C=C2)OC)NC(=O)C(C(=O)C(C)(CO)CO)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)O)C

InChI

InChI=1S/C38H42N2O11S/c1-24-7-18-33(25(2)20-24)50-19-5-6-34(44)39-31-17-12-28(49-4)21-32(31)40-37(46)35(36(45)38(3,22-41)23-42)51-27-10-15-30(16-11-27)52(47,48)29-13-8-26(43)9-14-29/h7-18,20-21,35,41-43H,5-6,19,22-23H2,1-4H3,(H,39,44)(H,40,46)