4-methyl-2-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[4-(4-pyrrolidin-1-ylphenyl)thiazol-2-yl]amino]pentanoic acid CAS Name: 4-methyl-2-[[4-[4-(1-pyrrolidinyl)phenyl]-2-thiazolyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[4-(4-pyrrolidinophenyl)thiazol-2-yl]amino]valeric acid Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC(=CS1)C2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=NC(=CS1)C2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H25N3O2S/c1-13(2)11-16(18(23)24)20-19-21-17(12-25-19)14-5-7-15(8-6-14)22-9-3-4-10-22/h5-8,12-13,16H,3-4,9-11H2,1-2H3,(H,20,21)(H,23,24)