cyclohexanamine; (2S,3S,4S,5R,6S)-6-(1H-indol-3-yloxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: cyclohexanamine; (2S,3S,4S,5R,6S)-6-(1H-indol-3-yloxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: cyclohexanamine; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)tetrahydropyran-2-carboxylic acid CAS Name: cyclohexanamine; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)-2-oxanecarboxylic acid IUPAC Name: cyclohexanamine; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxane-2-carboxylic acid Traditional Name: cyclohexylamine; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)tetrahydropyran-2-carboxylic acid Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1=CC=C2C(=C1)C(=CN2)OC3C(C(C(C(O3)C(=O)O)O)O)O

Isomeric SMILES

C1CCC(CC1)N.C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

InChI

InChI=1S/C14H15NO7.C6H13N/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8;7-6-4-2-1-3-5-6/h1-5,9-12,14-18H,(H,19,20);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1