2-[methylcarbamoyl-[2-[methyl(2-methylpropanoyl)amino]ethyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[methylcarbamoyl-[2-[methyl(2-methylpropanoyl)amino]ethyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[methylcarbamoyl-[2-[methyl(2-methylpropanoyl)amino]ethyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[methylcarbamoyl-[2-[methyl-(2-methyl-1-oxopropyl)amino]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[methylcarbamoyl-[2-[methyl(2-methylpropanoyl)amino]ethyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[2-[isobutyryl(methyl)amino]ethyl-(methylcarbamoyl)amino]-3-phenyl-propionic acid Formula: C18H27N3O4 MolecularWeight: 349.42468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(C)CCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)NC

Isomeric SMILES

CC(C)C(=O)N(C)CCN(C(CC1=CC=CC=C1)C(=O)O)C(=O)NC

InChI

InChI=1S/C18H27N3O4/c1-13(2)16(22)20(4)10-11-21(18(25)19-3)15(17(23)24)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,19,25)(H,23,24)