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

Systemtic Name: 3-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-methyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylthiazol-2-yl)-methyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butyl-2-thiazolyl)-methylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-methylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylthiazol-2-yl)-methyl-amino]methyl]benzoyl]amino]propionic acid Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-19(2,3)15-12-26-18(21-15)22(4)11-13-5-7-14(8-6-13)17(25)20-10-9-16(23)24/h5-8,12H,9-11H2,1-4H3,(H,20,25)(H,23,24)