[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H21BrN2O4/c1-13(2)20(25-21(27)15-8-3-5-9-17(15)23)22(28)29-12-19(26)16-11-24-18-10-6-4-7-14(16)18/h3-11,13,20,24H,12H2,1-2H3,(H,25,27)/t20-/m0/s1