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

Systemtic Name: 2-[2-[1-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-3H-indol-3-yl]ethanoylamino]butanedioate Openeye Name: 2-[[2-[2-oxo-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]indolin-3-yl]acetyl]amino]butanedioate CAS Name: 2-[[1-oxo-2-[2-oxo-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-3H-indol-3-yl]ethyl]amino]butanedioate IUPAC Name: 2-[[2-[2-oxo-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-indol-3-yl]acetyl]amino]butanedioate Traditional Name: 2-[[2-[2-keto-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]indolin-3-yl]acetyl]amino]succinate Formula: C20H22N2O11-2 MolecularWeight: 466.39548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)CC(=O)NC(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)N2C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)NC(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H24N2O11/c23-7-12-15(27)16(28)17(29)19(33-12)22-11-4-2-1-3-8(11)9(18(22)30)5-13(24)21-10(20(31)32)6-14(25)26/h1-4,9-10,12,15-17,19,23,27-29H,5-7H2,(H,21,24)(H,25,26)(H,31,32)/p-2/t9?,10?,12-,15-,16+,17-,19?/m1/s1