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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)N(CC=C)CC2=CC=C(C=C2)C(=O)N(C)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)N(CC=C)CC2=CC=C(C=C2)C(=O)N(C)CC(=O)O

InChI

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