4-[[4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxy-oxan-3-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[[4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxy-oxan-3-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[[4,5-diacetoxy-6-(acetoxymethyl)-2-methoxy-tetrahydropyran-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxy-3-oxanyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[[4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[[4,5-diacetoxy-6-(acetoxymethyl)-2-methoxy-tetrahydropyran-3-yl]amino]-4-keto-butyric acid Formula: C25H32N2O13 MolecularWeight: 568.52718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O13/c1-13(28)36-12-18-21(38-14(2)29)22(39-15(3)30)20(24(35-4)40-18)27-23(33)17(10-19(31)32)26-25(34)37-11-16-8-6-5-7-9-16/h5-9,17-18,20-22,24H,10-12H2,1-4H3,(H,26,34)(H,27,33)(H,31,32)