1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-quinolin-2-yloxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-quinolin-2-yloxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(2-quinolyloxy)pyrrolidine-2-carboxylic acid CAS Name: 1-[3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-(2-quinolinyloxy)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-quinolin-2-yloxypyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(2-quinolyloxy)proline Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC3=CC=CC=C3C=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)OC2=NC3=CC=CC=C3C=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O6/c1-24(2,3)20(27-23(32)34-25(4,5)6)21(29)28-14-16(13-18(28)22(30)31)33-19-12-11-15-9-7-8-10-17(15)26-19/h7-12,16,18,20H,13-14H2,1-6H3,(H,27,32)(H,30,31)