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

Systemtic Name: N-(2-azanylethyl)-4-[3,3-dimethylbutanoyl(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(3,3-dimethyl-1-oxobutyl)-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(2-thenyl)amino]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C24H33N5O3S MolecularWeight: 471.61552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC=CS1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NCCN

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=CS1)C2CC(N(C2)C(=O)C3=CN=CC=C3)C(=O)NCCN

InChI

InChI=1S/C24H33N5O3S/c1-24(2,3)13-21(30)28(16-19-7-5-11-33-19)18-12-20(22(31)27-10-8-25)29(15-18)23(32)17-6-4-9-26-14-17/h4-7,9,11,14,18,20H,8,10,12-13,15-16,25H2,1-3H3,(H,27,31)