2-[[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthalenyl)-2-pyrrolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrole-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-2-carbonyl]amino]-4-(methylthio)butyric acid Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CN1CC2=CN=CN2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CN1CC2=CN=CN2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H24N4O3S/c1-32-10-9-21(24(30)31)27-23(29)22-11-17(13-28(22)14-18-12-25-15-26-18)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,11-13,15,21H,9-10,14H2,1H3,(H,25,26)(H,27,29)(H,30,31)