[3,4,5-triacetyloxy-6-[5-(phenylmethoxycarbonylamino)pentanoylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[5-(phenylmethoxycarbonylamino)pentanoylamino]oxan-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[5-(benzyloxycarbonylamino)pentanoylamino]tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxanyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[5-(phenylmethoxycarbonylamino)pentanoylamino]oxan-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[5-(benzyloxycarbonylamino)pentanoylamino]tetrahydropyran-2-yl]methyl ester Formula: C27H36N2O12 MolecularWeight: 580.58094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)NC(=O)CCCCNC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)NC(=O)CCCCNC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H36N2O12/c1-16(30)36-15-21-23(38-17(2)31)24(39-18(3)32)25(40-19(4)33)26(41-21)29-22(34)12-8-9-13-28-27(35)37-14-20-10-6-5-7-11-20/h5-7,10-11,21,23-26H,8-9,12-15H2,1-4H3,(H,28,35)(H,29,34)