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

Systemtic Name: N-(2-azanylethyl)-4-[3,3-dimethylbutanoyl(thiophen-2-ylmethyl)amino]-1-(2-methoxyethanoyl)pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(2-thienylmethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[(3,3-dimethyl-1-oxobutyl)-(thiophen-2-ylmethyl)amino]-1-(2-methoxy-1-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(thiophen-2-ylmethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[3,3-dimethylbutanoyl(2-thenyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O4S/c1-21(2,3)11-18(26)24(13-16-6-5-9-30-16)15-10-17(20(28)23-8-7-22)25(12-15)19(27)14-29-4/h5-6,9,15,17H,7-8,10-14,22H2,1-4H3,(H,23,28)