3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(4-imidazol-1-ylthiophen-2-yl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(4-imidazol-1-ylthiophen-2-yl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-carbamoyl-2-methyl-phenyl)-5-(4-imidazol-1-yl-2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-carbamoyl-2-methylphenyl)-5-[4-(1-imidazolyl)-2-thiophenyl]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-carbamoyl-2-methylphenyl)-5-(4-imidazol-1-ylthiophen-2-yl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-carbamoyl-2-methyl-phenyl)-5-(4-imidazol-1-yl-2-thienyl)pyrrol-2-yl]propionic acid Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC(=CS3)N4C=CN=C4)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC(=CS3)N4C=CN=C4)CCC(=O)O

InChI

InChI=1S/C22H20N4O3S/c1-14-10-15(22(23)29)2-5-18(14)26-16(4-7-21(27)28)3-6-19(26)20-11-17(12-30-20)25-9-8-24-13-25/h2-3,5-6,8-13H,4,7H2,1H3,(H2,23,29)(H,27,28)