[2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-keto-2-(2-keto-1-methyl-indolin-5-yl)ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC2=C(C=C1)N(C(=O)C2)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)N(C(=O)C2)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H22N2O6/c1-12(2)19(22-20(26)17-5-4-8-28-17)21(27)29-11-16(24)13-6-7-15-14(9-13)10-18(25)23(15)3/h4-9,12,19H,10-11H2,1-3H3,(H,22,26)/t19-/m0/s1