(2S)-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]propanoic acid CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]propionic acid Formula: C23H27NO10 MolecularWeight: 477.46118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O

InChI

InChI=1S/C23H27NO10/c25-11-17-18(26)19(27)20(28)22(34-17)33-15-8-6-13(7-9-15)10-16(21(29)30)24-23(31)32-12-14-4-2-1-3-5-14/h1-9,16-20,22,25-28H,10-12H2,(H,24,31)(H,29,30)/t16-,17+,18+,19-,20+,22+/m0/s1