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

Systemtic Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[[allyl-(4-tert-butylthiazol-2-yl)amino]methyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-[[(4-tert-butyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[[allyl-(4-tert-butylthiazol-2-yl)amino]methyl]benzoyl]amino]-3-methyl-butyric acid Formula: C23H31N3O3S MolecularWeight: 429.57554

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-7-12-26(22-24-18(14-30-22)23(4,5)6)13-16-8-10-17(11-9-16)20(27)25-19(15(2)3)21(28)29/h7-11,14-15,19H,1,12-13H2,2-6H3,(H,25,27)(H,28,29)