methyl 3-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-methyl-carbamoyl]-5-methyl-hexanoate

Systemtic Name: methyl 3-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-methyl-carbamoyl]-5-methyl-hexanoate Openeye Name: methyl 3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]-methyl-carbamoyl]-5-methyl-hexanoate CAS Name: 3-[[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-methylamino]-oxomethyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-methylcarbamoyl]-5-methylhexanoate Traditional Name: 3-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-(methylamino)ethyl]-methyl-carbamoyl]-5-methyl-hexanoic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)OC)C(=O)N(C)C(CC1=CNC2=CC=CC=C21)C(=O)NC

Isomeric SMILES

CC(C)CC(CC(=O)OC)C(=O)N(C)[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC

InChI

InChI=1S/C22H31N3O4/c1-14(2)10-15(12-20(26)29-5)22(28)25(4)19(21(27)23-3)11-16-13-24-18-9-7-6-8-17(16)18/h6-9,13-15,19,24H,10-12H2,1-5H3,(H,23,27)/t15?,19-/m0/s1