2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-naphthalen-1-yl-pyrrol-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-naphthalen-1-yl-pyrrol-2-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-(1-naphthyl)pyrrole-2-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[3-(1H-imidazol-5-yl)propyl]-4-(1-naphthalenyl)-2-pyrrolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-naphthalen-1-ylpyrrole-2-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-(1-naphthyl)pyrrole-2-carbonyl]amino]-4-(methylthio)butyric acid Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CN1CCCC2=CN=CN2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC(=CN1CCCC2=CN=CN2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H28N4O3S/c1-34-13-11-23(26(32)33)29-25(31)24-14-19(16-30(24)12-5-8-20-15-27-17-28-20)22-10-4-7-18-6-2-3-9-21(18)22/h2-4,6-7,9-10,14-17,23H,5,8,11-13H2,1H3,(H,27,28)(H,29,31)(H,32,33)