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

Systemtic Name: 4-methyl-2-[[4-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[4-[3-(phenylcarbamoylamino)phenyl]thiazol-2-yl]amino]pentanoic acid CAS Name: 2-[[4-[3-[[anilino(oxo)methyl]amino]phenyl]-2-thiazolyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[[4-[3-(phenylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[4-[3-(phenylcarbamoylamino)phenyl]thiazol-2-yl]amino]valeric acid Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-14(2)11-18(20(27)28)25-22-26-19(13-30-22)15-7-6-10-17(12-15)24-21(29)23-16-8-4-3-5-9-16/h3-10,12-14,18H,11H2,1-2H3,(H,25,26)(H,27,28)(H2,23,24,29)