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

Systemtic Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[[allyl-(4-tert-butylthiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[[(4-tert-butyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[[allyl-(4-tert-butylthiazol-2-yl)amino]methyl]benzoyl]amino]propionic acid Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-6-11-24(20-23-17(13-28-20)21(3,4)5)12-15-7-9-16(10-8-15)18(25)22-14(2)19(26)27/h6-10,13-14H,1,11-12H2,2-5H3,(H,22,25)(H,26,27)