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

Systemtic Name: N-(2-azanylethyl)-4-[3,3-dimethylbutanoyl(thiophen-2-ylmethyl)amino]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(2-thienylmethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[(3,3-dimethyl-1-oxobutyl)-(thiophen-2-ylmethyl)amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(thiophen-2-ylmethyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(2-thenyl)amino]pyrrolidine-2-carboxamide Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC=CS2)C(=O)CC(C)(C)C

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCCN)N(CC2=CC=CS2)C(=O)CC(C)(C)C

InChI

InChI=1S/C20H32N4O3S/c1-14(25)23-12-15(10-17(23)19(27)22-8-7-21)24(13-16-6-5-9-28-16)18(26)11-20(2,3)4/h5-6,9,15,17H,7-8,10-13,21H2,1-4H3,(H,22,27)