(phenylmethyl) (2S,3R)-3-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-azanyl-oxan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) (2S,3R)-3-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-azanyl-oxan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (2S,3R)-2-(tert-butoxycarbonylamino)-3-[(2R,3R,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-amino-tetrahydropyran-2-yl]oxy-butanoate CAS Name: (2S,3R)-3-[[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-amino-2-oxanyl]oxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-aminooxan-2-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-[(2R,3R,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-amino-tetrahydropyran-2-yl]oxy-butyric acid benzyl ester Formula: C28H40N2O12 MolecularWeight: 596.6234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)N

InChI

InChI=1S/C28H40N2O12/c1-15(22(30-27(35)42-28(5,6)7)25(34)37-13-19-11-9-8-10-12-19)38-26-21(29)24(40-18(4)33)23(39-17(3)32)20(41-26)14-36-16(2)31/h8-12,15,20-24,26H,13-14,29H2,1-7H3,(H,30,35)/t15-,20-,21-,22+,23-,24-,26-/m1/s1