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

Systemtic Name: N-(2-azanylethyl)-4-[cyclopropyl(3,3-dimethylbutanoyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclopropyl(3,3-dimethylbutanoyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclopropyl-(3,3-dimethyl-1-oxobutyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclopropyl(3,3-dimethylbutanoyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclopropyl(3,3-dimethylbutanoyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(C1CC1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NCCN

Isomeric SMILES

CC(C)(C)CC(=O)N(C1CC1)C2CC(N(C2)C(=O)C3=CC=CS3)C(=O)NCCN

InChI

InChI=1S/C21H32N4O3S/c1-21(2,3)12-18(26)25(14-6-7-14)15-11-16(19(27)23-9-8-22)24(13-15)20(28)17-5-4-10-29-17/h4-5,10,14-16H,6-9,11-13,22H2,1-3H3,(H,23,27)