(2S,3S)-2-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-(2,3-dihydro-1H-inden-5-ylcarbonylamino)-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-(indane-5-carbonylamino)butanoate CAS Name: (2S,3S)-2-[[2,3-dihydro-1H-inden-5-yl(oxo)methyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-hydroxybutanoate Traditional Name: (2S,3S)-3-hydroxy-2-(indane-5-carbonylamino)butyrate Formula: C14H16NO4- MolecularWeight: 262.28114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)C1=CC2=C(CCC2)C=C1)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)C1=CC2=C(CCC2)C=C1)O

InChI

InChI=1S/C14H17NO4/c1-8(16)12(14(18)19)15-13(17)11-6-5-9-3-2-4-10(9)7-11/h5-8,12,16H,2-4H2,1H3,(H,15,17)(H,18,19)/p-1/t8-,12-/m0/s1