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

Systemtic Name: 2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enyl-amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 2-[[[4-[[[4-(2-naphthalenyl)-2-thiazolyl]-prop-2-enylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[[(4-naphthalen-2-yl-1,3-thiazol-2-yl)-prop-2-enylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 2-[[4-[[allyl-[4-(2-naphthyl)thiazol-2-yl]amino]methyl]benzoyl]amino]propionic acid Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(CC=C)C2=NC(=CS2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CN(CC=C)C2=NC(=CS2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H25N3O3S/c1-3-14-30(16-19-8-10-21(11-9-19)25(31)28-18(2)26(32)33)27-29-24(17-34-27)23-13-12-20-6-4-5-7-22(20)15-23/h3-13,15,17-18H,1,14,16H2,2H3,(H,28,31)(H,32,33)