N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(3-methoxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(3-methoxyphenyl)methyl-thiophen-2-ylcarbonyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(3-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(3-methoxyphenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]-1-[(3-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(3-methoxyphenyl)methyl-(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-m-anisoyl-4-[m-anisyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C28H32N4O5S MolecularWeight: 536.64248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C2CC(N(C2)C(=O)C3=CC(=CC=C3)OC)C(=O)NCCN)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)CN(C2CC(N(C2)C(=O)C3=CC(=CC=C3)OC)C(=O)NCCN)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H32N4O5S/c1-36-22-8-3-6-19(14-22)17-31(28(35)25-10-5-13-38-25)21-16-24(26(33)30-12-11-29)32(18-21)27(34)20-7-4-9-23(15-20)37-2/h3-10,13-15,21,24H,11-12,16-18,29H2,1-2H3,(H,30,33)