3-[[3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoic acid

Systemtic Name: 3-[[3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidene-propan-2-yl]carbamoyl]-5-methyl-hexanoic acid Openeye Name: 3-[[1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-thioxo-ethyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: 3-[[[3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidenepropan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid IUPAC Name: 3-[[3-(1H-indol-3-yl)-1-(methylamino)-1-sulfanylidenepropan-2-yl]carbamoyl]-5-methylhexanoic acid Traditional Name: 3-[[1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-thioxo-ethyl]carbamoyl]-5-methyl-hexanoic acid Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=S)NC

Isomeric SMILES

CC(C)CC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=S)NC

InChI

InChI=1S/C20H27N3O3S/c1-12(2)8-13(10-18(24)25)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)