4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[2-(1H-indol-3-yl)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[2-(1H-indol-3-yl)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-(1H-indol-3-yl)acetyl]amino]-4-oxo-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butanoic acid CAS Name: 3-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-4-oxo-4-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butanoic acid IUPAC Name: 3-[[2-(1H-indol-3-yl)acetyl]amino]-4-oxo-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid Traditional Name: 3-[[2-(1H-indol-3-yl)acetyl]amino]-4-keto-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-butyric acid Formula: C20H24N2O10 MolecularWeight: 452.41196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CC(=O)O)C(=O)OC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)NC(CC(=O)O)C(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C20H24N2O10/c23-8-13-16(27)17(28)18(29)20(31-13)32-19(30)12(6-15(25)26)22-14(24)5-9-7-21-11-4-2-1-3-10(9)11/h1-4,7,12-13,16-18,20-21,23,27-29H,5-6,8H2,(H,22,24)(H,25,26)/t12?,13-,16-,17+,18-,20?/m1/s1