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

Systemtic Name: N-(2-azanylethyl)-1-ethanoyl-4-[phenethyl(thiophen-2-ylcarbonyl)amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[[oxo(thiophen-2-yl)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[phenethyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[phenethyl(2-thenoyl)amino]pyrrolidine-2-carboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCCN)N(CCC2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCCN)N(CCC2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N4O3S/c1-16(27)26-15-18(14-19(26)21(28)24-11-10-23)25(22(29)20-8-5-13-30-20)12-9-17-6-3-2-4-7-17/h2-8,13,18-19H,9-12,14-15,23H2,1H3,(H,24,28)