(2S,3S)-2-(1H-indol-3-ylcarbonylamino)-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-(1H-indol-3-ylcarbonylamino)-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-(1H-indole-3-carbonylamino)butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[1H-indol-3-yl(oxo)methyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-(1H-indole-3-carbonylamino)butanoate Traditional Name: (2S,3S)-3-hydroxy-2-(1H-indole-3-carbonylamino)butyrate Formula: C13H13N2O4- MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CNC2=CC=CC=C21)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CNC2=CC=CC=C21)O

InChI

InChI=1S/C13H14N2O4/c1-7(16)11(13(18)19)15-12(17)9-6-14-10-5-3-2-4-8(9)10/h2-7,11,14,16H,1H3,(H,15,17)(H,18,19)/p-1/t7-,11-/m0/s1