3-ethanoylsulfanyl-4-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-heptanoate

Systemtic Name: 3-ethanoylsulfanyl-4-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-heptanoate Openeye Name: 3-acetylsulfanyl-4-[[1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-heptanoate CAS Name: 3-(acetylthio)-4-[[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-6-methylheptanoate IUPAC Name: 3-acetylsulfanyl-4-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-6-methylheptanoate Traditional Name: 3-(acetylthio)-4-[[1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]carbamoyl]-6-methyl-enanthate Formula: C23H30N3O5S- MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)[O-])SC(=O)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC

Isomeric SMILES

CC(C)CC(C(CC(=O)[O-])SC(=O)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC

InChI

InChI=1S/C23H31N3O5S/c1-13(2)9-17(20(11-21(28)29)32-14(3)27)22(30)26-19(23(31)24-4)10-15-12-25-18-8-6-5-7-16(15)18/h5-8,12-13,17,19-20,25H,9-11H2,1-4H3,(H,24,31)(H,26,30)(H,28,29)/p-1