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

Systemtic Name: 3-[5-[3-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]pentanoylamino]propanoic acid Openeye Name: 3-[5-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]pentanoylamino]propanoic acid CAS Name: 3-[[5-[3-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-[5-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]pentanoylamino]propanoic acid Traditional Name: 3-[5-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]pentanoylamino]propionic acid Formula: C36H41N3O7S MolecularWeight: 659.79164

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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(=CC=C4)OCCCCC(=O)NCCC(=O)O)NS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C36H41N3O7S/c1-27-33(38-47(2,43)44)14-9-15-34(27)39(25-28-10-4-3-5-11-28)26-29-17-19-30(20-18-29)46-32-13-8-12-31(24-32)45-23-7-6-16-35(40)37-22-21-36(41)42/h3-5,8-15,17-20,24,38H,6-7,16,21-23,25-26H2,1-2H3,(H,37,40)(H,41,42)