3-(1H-imidazol-5-yl)-2-[3-[3-(3-methoxy-4-oxidanyl-phenyl)propanoylamino]propanoylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[3-[3-(3-methoxy-4-oxidanyl-phenyl)propanoylamino]propanoylamino]propanoic acid Openeye Name: 2-[3-[3-(4-hydroxy-3-methoxy-phenyl)propanoylamino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[3-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[3-[3-(4-hydroxy-3-methoxyphenyl)propanoylamino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[3-[3-(4-hydroxy-3-methoxy-phenyl)propanoylamino]propanoylamino]-3-(1H-imidazol-5-yl)propionic acid Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)NCCC(=O)NC(CC2=CN=CN2)C(=O)O)O

InChI

InChI=1S/C19H24N4O6/c1-29-16-8-12(2-4-15(16)24)3-5-17(25)21-7-6-18(26)23-14(19(27)28)9-13-10-20-11-22-13/h2,4,8,10-11,14,24H,3,5-7,9H2,1H3,(H,20,22)(H,21,25)(H,23,26)(H,27,28)