N-(2-azanylethyl)-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[2-methylpropyl(thiophen-2-ylcarbonyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[isobutyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[2-methylpropyl-[oxo(thiophen-2-yl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[2-methylpropyl(thiophene-2-carbonyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[isobutyl(2-thenoyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C22H29N5O3S MolecularWeight: 443.56236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CC(N(C1)C(=O)C2=CN=CC=C2)C(=O)NCCN)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CN(C1CC(N(C1)C(=O)C2=CN=CC=C2)C(=O)NCCN)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N5O3S/c1-15(2)13-26(22(30)19-6-4-10-31-19)17-11-18(20(28)25-9-7-23)27(14-17)21(29)16-5-3-8-24-12-16/h3-6,8,10,12,15,17-18H,7,9,11,13-14,23H2,1-2H3,(H,25,28)