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

Systemtic Name: methyl (2S)-2-[[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-yl-pyrrol-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthalenyl)-3-pyrrolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylpyrrole-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthyl)pyrrole-3-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(C=C1C2=CC=CC3=CC=CC=C32)CC4=CN=CN4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S/c1-32-25(31)23(10-11-33-2)28-24(30)22-15-29(13-18-12-26-16-27-18)14-21(22)20-9-5-7-17-6-3-4-8-19(17)20/h3-9,12,14-16,23H,10-11,13H2,1-2H3,(H,26,27)(H,28,30)/t23-/m0/s1