2-[3-[2-[(2,4-dimethoxyphenyl)carbamoyl-heptyl-amino]ethyl]phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[3-[2-[(2,4-dimethoxyphenyl)carbamoyl-heptyl-amino]ethyl]phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[3-[2-[(2,4-dimethoxyphenyl)carbamoyl-heptyl-amino]ethyl]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[3-[2-[[(2,4-dimethoxyanilino)-oxomethyl]-heptylamino]ethyl]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[3-[2-[(2,4-dimethoxyphenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[3-[2-[(2,4-dimethoxyphenyl)carbamoyl-heptyl-amino]ethyl]phenyl]thio]-2-methyl-propionic acid Formula: C28H40N2O5S MolecularWeight: 516.6926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCC1=CC(=CC=C1)SC(C)(C)C(=O)O)C(=O)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCCN(CCC1=CC(=CC=C1)SC(C)(C)C(=O)O)C(=O)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C28H40N2O5S/c1-6-7-8-9-10-17-30(27(33)29-24-15-14-22(34-4)20-25(24)35-5)18-16-21-12-11-13-23(19-21)36-28(2,3)26(31)32/h11-15,19-20H,6-10,16-18H2,1-5H3,(H,29,33)(H,31,32)