2-[[2-azanyl-3-[2-(2-benzamidoethanoyl)-1H-imidazol-5-yl]propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-azanyl-3-[2-(2-benzamidoethanoyl)-1H-imidazol-5-yl]propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-amino-3-[2-(2-benzamidoacetyl)-1H-imidazol-5-yl]propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-amino-3-[2-(2-benzamido-1-oxoethyl)-1H-imidazol-5-yl]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-amino-3-[2-(2-benzamidoacetyl)-1H-imidazol-5-yl]propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-amino-3-(2-hippuroyl-1H-imidazol-5-yl)propanoyl]amino]-4-methyl-valeric acid Formula: C21H27N5O5 MolecularWeight: 429.46958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CN=C(N1)C(=O)CNC(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CN=C(N1)C(=O)CNC(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C21H27N5O5/c1-12(2)8-16(21(30)31)26-20(29)15(22)9-14-10-23-18(25-14)17(27)11-24-19(28)13-6-4-3-5-7-13/h3-7,10,12,15-16H,8-9,11,22H2,1-2H3,(H,23,25)(H,24,28)(H,26,29)(H,30,31)