3-methyl-2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 2-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: 3-methyl-2-[[oxo-[4-[[(4-phenyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]butanoic acid Traditional Name: 2-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(CC=C)C2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(CC=C)C2=NC(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O3S/c1-4-14-28(25-26-21(16-32-25)19-8-6-5-7-9-19)15-18-10-12-20(13-11-18)23(29)27-22(17(2)3)24(30)31/h4-13,16-17,22H,1,14-15H2,2-3H3,(H,27,29)(H,30,31)