2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[(4-methoxyphenyl)azo-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(4-methoxyphenyl)iminocarbamoylamino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C23H28N4O5 MolecularWeight: 440.49222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)N=NC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)N=NC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H28N4O5/c1-15(2)13-19(25-23(31)27-26-17-9-11-18(32-3)12-10-17)21(28)24-20(22(29)30)14-16-7-5-4-6-8-16/h4-12,15,19-20H,13-14H2,1-3H3,(H,24,28)(H,25,31)(H,29,30)