4-[2-[2-carboxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid

Systemtic Name: 4-[2-[2-carboxy-5-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid Openeye Name: 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-indolin-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid CAS Name: 4-[2-[2-carboxy-6-hydroxy-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid IUPAC Name: 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid Traditional Name: 4-[2-[2-carboxy-6-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-indolin-1-yl]ethylidene]piperidine-2,6-dicarboxylic acid Formula: C24H30N2O13 MolecularWeight: 554.5006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(CC1=CCN2C(CC3=CC(=C(C=C32)O)OC4C(C(C(C(O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1C(NC(CC1=CCN2C(CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H30N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1,6-7,11-12,14,17-20,24-25,27-31H,2-5,8H2,(H,32,33)(H,34,35)(H,36,37)/t11?,12?,14?,17-,18-,19+,20-,24-/m1/s1