methyl (2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(1H-indol-3-ylcarbonyl)piperazin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[1H-indol-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(1H-indole-3-carbonyl)piperazine-1-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)N1CCN(CC1)C(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H26N4O4S/c1-28-19(26)17(7-12-29-2)22-20(27)24-10-8-23(9-11-24)18(25)15-13-21-16-6-4-3-5-14(15)16/h3-6,13,17,21H,7-12H2,1-2H3,(H,22,27)/t17-/m0/s1