[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H25N3O5/c1-14(2)20(25-21(27)18-8-5-11-29-18)22(28)30-13-19(26)23-10-9-15-12-24-17-7-4-3-6-16(15)17/h3-8,11-12,14,20,24H,9-10,13H2,1-2H3,(H,23,26)(H,25,27)/t20-/m0/s1