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

Systemtic Name: (2S)-2-[[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthalenyl)-3-pyrrolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrole-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-3-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=CN(C=C1C2=CC=CC3=CC=CC=C32)CC4=CN=CN4

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)C1=CN(C=C1C2=CC=CC3=CC=CC=C32)CC4=CN=CN4

InChI

InChI=1S/C24H24N4O3S/c1-32-10-9-22(24(30)31)27-23(29)21-14-28(12-17-11-25-15-26-17)13-20(21)19-8-4-6-16-5-2-3-7-18(16)19/h2-8,11,13-15,22H,9-10,12H2,1H3,(H,25,26)(H,27,29)(H,30,31)/t22-/m0/s1