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

Systemtic Name: 4-[5-[4-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]pentanoylamino]butanoic acid Openeye Name: 4-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]pentanoylamino]butanoic acid CAS Name: 4-[[5-[4-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxopentyl]amino]butanoic acid IUPAC Name: 4-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]pentanoylamino]butanoic acid Traditional Name: 4-[5-[4-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]pentanoylamino]butyric acid Formula: C37H43N3O7S MolecularWeight: 673.81822

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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)NCCCC(=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)NCCCC(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C37H43N3O7S/c1-28-34(39-48(2,44)45)12-8-13-35(28)40(26-29-10-4-3-5-11-29)27-30-16-18-32(19-17-30)47-33-22-20-31(21-23-33)46-25-7-6-14-36(41)38-24-9-15-37(42)43/h3-5,8,10-13,16-23,39H,6-7,9,14-15,24-27H2,1-2H3,(H,38,41)(H,42,43)