1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(2-thiophen-2-ylpyridin-4-yl)oxymethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(2-thiophen-2-ylpyridin-4-yl)oxymethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[[2-(2-thienyl)-4-pyridyl]oxymethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]-4-[(2-thiophen-2-yl-4-pyridinyl)oxymethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]-4-[(2-thiophen-2-ylpyridin-4-yl)oxymethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]-4-[[2-(2-thienyl)-4-pyridyl]oxymethyl]proline Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)COC2=CC(=NC=C2)C3=CC=CS3)NC(=O)OC

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)COC2=CC(=NC=C2)C3=CC=CS3)NC(=O)OC

InChI

InChI=1S/C23H29N3O6S/c1-23(2,3)19(25-22(30)31-4)20(27)26-12-14(10-17(26)21(28)29)13-32-15-7-8-24-16(11-15)18-6-5-9-33-18/h5-9,11,14,17,19H,10,12-13H2,1-4H3,(H,25,30)(H,28,29)