[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C(C)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-13-19(17-11-7-8-12-18(17)23-13)20(26)15(3)29-21(27)14(2)24-22(28)25-16-9-5-4-6-10-16/h4-12,14-15,23H,1-3H3,(H2,24,25,28)/t14-,15-/m0/s1