(2S)-2-azanyl-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxyphenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxyphenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxyphenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl]oxy]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyphenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxyphenyl]propionic acid Formula: C43H37NO12 MolecularWeight: 759.75338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)CC(C(=O)O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)C[C@@H](C(=O)O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C43H37NO12/c44-33(38(45)46)25-27-21-23-32(24-22-27)52-43-37(56-42(50)31-19-11-4-12-20-31)36(55-41(49)30-17-9-3-10-18-30)35(54-40(48)29-15-7-2-8-16-29)34(53-43)26-51-39(47)28-13-5-1-6-14-28/h1-24,33-37,43H,25-26,44H2,(H,45,46)/t33-,34+,35-,36-,37+,43+/m0/s1