3-[2-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]propanoylamino]propanoic acid

Systemtic Name: 3-[2-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]propanoylamino]propanoic acid Openeye Name: 3-[2-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]propanoylamino]propanoic acid CAS Name: 3-[[2-[[[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]propanoylamino]propanoic acid Traditional Name: 3-[2-[[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]propanoylamino]propionic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)NC(C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)NC(C)C(=O)NCCC(=O)O

InChI

InChI=1S/C20H25N3O5/c1-12-11-17(14(3)23(12)15-5-7-16(28-4)8-6-15)20(27)22-13(2)19(26)21-10-9-18(24)25/h5-8,11,13H,9-10H2,1-4H3,(H,21,26)(H,22,27)(H,24,25)