2-[carboxy-[2-[1-methyl-2-(2-phenylethynyl)imidazol-4-yl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[1-methyl-2-(2-phenylethynyl)imidazol-4-yl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[1-methyl-2-(2-phenylethynyl)imidazol-4-yl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[1-methyl-2-(2-phenylethynyl)-4-imidazolyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[1-methyl-2-(2-phenylethynyl)imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[1-methyl-2-(2-phenylethynyl)imidazol-4-yl]ethyl]amino]-4-methyl-valeric acid Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CN(C(=N1)C#CC2=CC=CC=C2)C)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CN(C(=N1)C#CC2=CC=CC=C2)C)C(=O)O

InChI

InChI=1S/C21H25N3O4/c1-15(2)13-18(20(25)26)24(21(27)28)12-11-17-14-23(3)19(22-17)10-9-16-7-5-4-6-8-16/h4-8,14-15,18H,11-13H2,1-3H3,(H,25,26)(H,27,28)