[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C

InChI

InChI=1S/C20H26N4O5/c1-11(2)22-20(28)24-18(26)12(3)29-19(27)17(23-13(4)25)9-14-10-21-16-8-6-5-7-15(14)16/h5-8,10-12,17,21H,9H2,1-4H3,(H,23,25)(H2,22,24,26,28)/t12-,17-/m0/s1