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

Systemtic Name: 3-ethanoylsulfanyl-4-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-heptanoic acid Openeye Name: 3-acetylsulfanyl-4-[[1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-heptanoic acid CAS Name: 3-(acetylthio)-4-[[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-6-methylheptanoic acid IUPAC Name: 3-acetylsulfanyl-4-[[3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-6-methylheptanoic acid Traditional Name: 3-(acetylthio)-4-[[1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]carbamoyl]-6-methyl-enanthic acid Formula: C23H31N3O5S MolecularWeight: 461.57434

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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)