2-[3-[3-(3-methoxy-4-oxidanyl-phenyl)propanoylamino]propanoylamino]-3-(1-methylimidazol-4-yl)propanoic acid

Systemtic Name: 2-[3-[3-(3-methoxy-4-oxidanyl-phenyl)propanoylamino]propanoylamino]-3-(1-methylimidazol-4-yl)propanoic acid Openeye Name: 2-[3-[3-(4-hydroxy-3-methoxy-phenyl)propanoylamino]propanoylamino]-3-(1-methylimidazol-4-yl)propanoic acid CAS Name: 2-[[3-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1-methyl-4-imidazolyl)propanoic acid IUPAC Name: 2-[3-[3-(4-hydroxy-3-methoxyphenyl)propanoylamino]propanoylamino]-3-(1-methylimidazol-4-yl)propanoic acid Traditional Name: 2-[3-[3-(4-hydroxy-3-methoxy-phenyl)propanoylamino]propanoylamino]-3-(1-methylimidazol-4-yl)propionic acid Formula: C20H26N4O6 MolecularWeight: 418.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CC(C(=O)O)NC(=O)CCNC(=O)CCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CN1C=C(N=C1)CC(C(=O)O)NC(=O)CCNC(=O)CCC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C20H26N4O6/c1-24-11-14(22-12-24)10-15(20(28)29)23-19(27)7-8-21-18(26)6-4-13-3-5-16(25)17(9-13)30-2/h3,5,9,11-12,15,25H,4,6-8,10H2,1-2H3,(H,21,26)(H,23,27)(H,28,29)