(2S)-2-(1H-indol-2-ylcarbonylamino)butanoate

Systemtic Name: (2S)-2-(1H-indol-2-ylcarbonylamino)butanoate Openeye Name: (2S)-2-(1H-indole-2-carbonylamino)butanoate CAS Name: (2S)-2-[[1H-indol-2-yl(oxo)methyl]amino]butanoate IUPAC Name: (2S)-2-(1H-indole-2-carbonylamino)butanoate Traditional Name: (2S)-2-(1H-indole-2-carbonylamino)butyrate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])NC(=O)C1=CC2=CC=CC=C2N1

Isomeric SMILES

CC[C@@H](C(=O)[O-])NC(=O)C1=CC2=CC=CC=C2N1

InChI

InChI=1S/C13H14N2O3/c1-2-9(13(17)18)15-12(16)11-7-8-5-3-4-6-10(8)14-11/h3-7,9,14H,2H2,1H3,(H,15,16)(H,17,18)/p-1/t9-/m0/s1