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

Systemtic Name: methyl (2S)-2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-naphthalen-1-yl-pyrrol-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-(1-naphthyl)pyrrole-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-[3-(1H-imidazol-5-yl)propyl]-4-(1-naphthalenyl)-3-pyrrolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-naphthalen-1-ylpyrrole-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[1-[3-(1H-imidazol-5-yl)propyl]-4-(1-naphthyl)pyrrole-3-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C27H30N4O3S MolecularWeight: 490.6171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CN(C=C1C2=CC=CC3=CC=CC=C32)CCCC4=CN=CN4

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CN(C=C1C2=CC=CC3=CC=CC=C32)CCCC4=CN=CN4

InChI

InChI=1S/C27H30N4O3S/c1-34-27(33)25(12-14-35-2)30-26(32)24-17-31(13-6-9-20-15-28-18-29-20)16-23(24)22-11-5-8-19-7-3-4-10-21(19)22/h3-5,7-8,10-11,15-18,25H,6,9,12-14H2,1-2H3,(H,28,29)(H,30,32)/t25-/m0/s1