[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C20H26N4O5/c1-12(2)9-22-20(28)24-18(26)11-29-19(27)17(23-13(3)25)8-14-10-21-16-7-5-4-6-15(14)16/h4-7,10,12,17,21H,8-9,11H2,1-3H3,(H,23,25)(H2,22,24,26,28)/t17-/m0/s1