[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate CAS Name: (2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: (2S)-2-(pivaloylamino)propionic acid [2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=C(N(C2=CC=CC=C21)C)C3=CC=CC=C3)NC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=C(N(C2=CC=CC=C21)C)C3=CC=CC=C3)NC(=O)C(C)(C)C

InChI

InChI=1S/C25H28N2O4/c1-16(26-24(30)25(2,3)4)23(29)31-15-20(28)21-18-13-9-10-14-19(18)27(5)22(21)17-11-7-6-8-12-17/h6-14,16H,15H2,1-5H3,(H,26,30)/t16-/m0/s1