1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(5-thiophen-3-ylpyridin-3-yl)oxymethyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(5-thiophen-3-ylpyridin-3-yl)oxymethyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[[5-(3-thienyl)-3-pyridyl]oxymethyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]-4-[[5-(3-thiophenyl)-3-pyridinyl]oxymethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]-4-[(5-thiophen-3-ylpyridin-3-yl)oxymethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]-4-[[5-(3-thienyl)-3-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=CN=CC(=C2)C3=CSC=C3)NC(=O)OC

Isomeric SMILES

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

InChI

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