(2S)-2-[[5-(cyclohexylmethoxy)-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[5-(cyclohexylmethoxy)-2-oxidanyl-4-oxidanylidene-chromen-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[5-(cyclohexylmethoxy)-2-hydroxy-4-oxo-chromene-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[5-(cyclohexylmethoxy)-2-hydroxy-4-oxo-1-benzopyran-3-yl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[5-(cyclohexylmethoxy)-2-hydroxy-4-oxochromene-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[5-(cyclohexylmethoxy)-2-hydroxy-4-keto-chromene-3-carbonyl]amino]propionic acid Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=C(OC2=C(C1=O)C(=CC=C2)OCC3CCCCC3)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=C(OC2=C(C1=O)C(=CC=C2)OCC3CCCCC3)O

InChI

InChI=1S/C20H23NO7/c1-11(19(24)25)21-18(23)16-17(22)15-13(8-5-9-14(15)28-20(16)26)27-10-12-6-3-2-4-7-12/h5,8-9,11-12,26H,2-4,6-7,10H2,1H3,(H,21,23)(H,24,25)/t11-/m0/s1