(1S,2R)-1-[(3S,4R)-4-oxidanyl-1-pyren-1-yl-pyrrolidin-3-yl]propane-1,2,3-triol

Systemtic Name: (1S,2R)-1-[(3S,4R)-4-oxidanyl-1-pyren-1-yl-pyrrolidin-3-yl]propane-1,2,3-triol Openeye Name: (1S,2R)-1-[(3S,4R)-4-hydroxy-1-pyren-1-yl-pyrrolidin-3-yl]propane-1,2,3-triol CAS Name: (1S,2R)-1-[(3S,4R)-4-hydroxy-1-(1-pyrenyl)-3-pyrrolidinyl]propane-1,2,3-triol IUPAC Name: (1S,2R)-1-[(3S,4R)-4-hydroxy-1-pyren-1-ylpyrrolidin-3-yl]propane-1,2,3-triol Traditional Name: (1S,2R)-1-[(3S,4R)-4-hydroxy-1-pyren-1-yl-pyrrolidin-3-yl]propane-1,2,3-triol Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O)C(C(CO)O)O

Isomeric SMILES

C1[C@@H]([C@H](CN1C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O)[C@@H]([C@@H](CO)O)O

InChI

InChI=1S/C23H23NO4/c25-12-20(27)23(28)17-10-24(11-19(17)26)18-9-7-15-5-4-13-2-1-3-14-6-8-16(18)22(15)21(13)14/h1-9,17,19-20,23,25-28H,10-12H2/t17-,19-,20+,23-/m0/s1