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

Systemtic Name: N-(2-azanylethyl)-4-[(4-methoxyphenyl)carbonyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-methoxybenzoyl)-phenethyl-amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[[(4-methoxyphenyl)-oxomethyl]-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-methoxybenzoyl)-phenethylamino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[p-anisoyl(phenethyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C28H32N4O4S MolecularWeight: 520.64308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCCN

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CC=CS4)C(=O)NCCN

InChI

InChI=1S/C28H32N4O4S/c1-36-23-11-9-21(10-12-23)27(34)31(16-13-20-6-3-2-4-7-20)22-18-24(26(33)30-15-14-29)32(19-22)28(35)25-8-5-17-37-25/h2-12,17,22,24H,13-16,18-19,29H2,1H3,(H,30,33)