3-methyl-2-[5-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]pentanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[5-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]pentanoylamino]pentanoic acid Openeye Name: 2-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]pentanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[5-[4-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxopentyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]pentanoylamino]-3-methylpentanoic acid Traditional Name: 2-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]pentanoylamino]-3-methyl-valeric acid Formula: C39H47N3O7S MolecularWeight: 701.87138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C4=CC=CC(=C4C)NS(=O)(=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=CC=CC=C3)C4=CC=CC(=C4C)NS(=O)(=O)C

InChI

InChI=1S/C39H47N3O7S/c1-5-28(2)38(39(44)45)40-37(43)16-9-10-25-48-32-21-23-34(24-22-32)49-33-19-17-31(18-20-33)27-42(26-30-12-7-6-8-13-30)36-15-11-14-35(29(36)3)41-50(4,46)47/h6-8,11-15,17-24,28,38,41H,5,9-10,16,25-27H2,1-4H3,(H,40,43)(H,44,45)