2-azanyl-3-[3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-phenyl]-2-methyl-propanoic acid Openeye Name: 2-amino-3-[4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-2-methyl-propanoic acid CAS Name: 2-amino-3-[4-hydroxy-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-2-methylpropanoic acid IUPAC Name: 2-amino-3-[4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropanoic acid Traditional Name: 2-amino-3-[4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-2-methyl-propionic acid Formula: C16H23NO9 MolecularWeight: 373.35512

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O)(C(=O)O)N

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)O)N

InChI

InChI=1S/C16H23NO9/c1-16(17,15(23)24)5-7-2-3-8(19)9(4-7)25-14-13(22)12(21)11(20)10(6-18)26-14/h2-4,10-14,18-22H,5-6,17H2,1H3,(H,23,24)/t10-,11-,12+,13-,14+,16?/m1/s1