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

Systemtic Name: 4-methyl-2-[[4-[3-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[4-[3-(1-phenylethylcarbamoylamino)phenyl]thiazol-2-yl]amino]pentanoic acid CAS Name: 4-methyl-2-[[4-[3-[[oxo-(1-phenylethylamino)methyl]amino]phenyl]-2-thiazolyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-[3-(1-phenylethylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[4-[3-(1-phenylethylcarbamoylamino)phenyl]thiazol-2-yl]amino]valeric acid Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4O3S/c1-15(2)12-20(22(29)30)27-24-28-21(14-32-24)18-10-7-11-19(13-18)26-23(31)25-16(3)17-8-5-4-6-9-17/h4-11,13-16,20H,12H2,1-3H3,(H,27,28)(H,29,30)(H2,25,26,31)