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

Systemtic Name: 2-[5-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]pentanoylamino]pentanedioic acid Openeye Name: 2-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]pentanoylamino]pentanedioic acid CAS Name: 2-[[5-[4-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]pentanoylamino]pentanedioic acid Traditional Name: 2-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]pentanoylamino]glutaric acid Formula: C38H43N3O9S MolecularWeight: 717.82772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)OCCCCC(=O)NC(CCC(=O)O)C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)OCCCCC(=O)NC(CCC(=O)O)C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C38H43N3O9S/c1-27-33(40-51(2,47)48)11-8-12-35(27)41(25-28-9-4-3-5-10-28)26-29-14-16-31(17-15-29)50-32-20-18-30(19-21-32)49-24-7-6-13-36(42)39-34(38(45)46)22-23-37(43)44/h3-5,8-12,14-21,34,40H,6-7,13,22-26H2,1-2H3,(H,39,42)(H,43,44)(H,45,46)