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

Systemtic Name: 3-methyl-2-[4-[3-[4-[[[2-methyl-3-(methylsulfonylamino)phenyl]-(phenylmethyl)amino]methyl]phenoxy]phenoxy]butanoylamino]butanoic acid Openeye Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[4-[3-[4-[[3-(methanesulfonamido)-2-methyl-N-(phenylmethyl)anilino]methyl]phenoxy]phenoxy]-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenoxy]butanoylamino]-3-methylbutanoic acid Traditional Name: 2-[4-[3-[4-[[N-benzyl-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenoxy]butanoylamino]-3-methyl-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(=CC=C4)OCCCC(=O)NC(C(C)C)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(=CC=C4)OCCCC(=O)NC(C(C)C)C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C37H43N3O7S/c1-26(2)36(37(42)43)38-35(41)17-10-22-46-31-13-8-14-32(23-31)47-30-20-18-29(19-21-30)25-40(24-28-11-6-5-7-12-28)34-16-9-15-33(27(34)3)39-48(4,44)45/h5-9,11-16,18-21,23,26,36,39H,10,17,22,24-25H2,1-4H3,(H,38,41)(H,42,43)