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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(butylcarbamoylamino)-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-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O5/c1-3-4-9-21-20(28)24-18(26)12-29-19(27)17(23-13(2)25)10-14-11-22-16-8-6-5-7-15(14)16/h5-8,11,17,22H,3-4,9-10,12H2,1-2H3,(H,23,25)(H2,21,24,26,28)/t17-/m0/s1