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

Systemtic Name: 4-methyl-2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 2-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[oxo-[4-[[(4-phenyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]pentanoic acid Traditional Name: 2-[[4-[[allyl-(4-phenylthiazol-2-yl)amino]methyl]benzoyl]amino]-4-methyl-valeric acid Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S/c1-4-14-29(26-28-23(17-33-26)20-8-6-5-7-9-20)16-19-10-12-21(13-11-19)24(30)27-22(25(31)32)15-18(2)3/h4-13,17-18,22H,1,14-16H2,2-3H3,(H,27,30)(H,31,32)