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

Systemtic Name: 3-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylthiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butyl-2-thiazolyl)-phenethylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylthiazol-2-yl)-phenethyl-amino]methyl]benzoyl]amino]propionic acid Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H31N3O3S/c1-26(2,3)22-18-33-25(28-22)29(16-14-19-7-5-4-6-8-19)17-20-9-11-21(12-10-20)24(32)27-15-13-23(30)31/h4-12,18H,13-17H2,1-3H3,(H,27,32)(H,30,31)