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

Systemtic Name: 3-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[allyl-(4-tert-butylthiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butyl-2-thiazolyl)-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[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)(C)C1=CSC(=N1)N(CC=C)CC2=CC=C(C=C2)C(=O)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-5-12-24(20-23-17(14-28-20)21(2,3)4)13-15-6-8-16(9-7-15)19(27)22-11-10-18(25)26/h5-9,14H,1,10-13H2,2-4H3,(H,22,27)(H,25,26)