[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C(C(C)C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)[C@H](C(C)C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c1-15(2)21(25-23(29)24-18-10-5-4-6-11-18)22(28)30-14-20(27)26-16(3)13-17-9-7-8-12-19(17)26/h4-12,15-16,21H,13-14H2,1-3H3,(H2,24,25,29)/t16-,21-/m0/s1