methyl (2S)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]butanoate

Systemtic Name: methyl (2S)-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]butanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-4-oxo-4-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]butanoate CAS Name: (2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-keto-4-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]butyric acid methyl ester Formula: C27H34N2O14 MolecularWeight: 610.56386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H34N2O14/c1-14(30)38-13-20-22(40-15(2)31)23(41-16(3)32)24(42-17(4)33)25(43-20)29-21(34)11-19(26(35)37-5)28-27(36)39-12-18-9-7-6-8-10-18/h6-10,19-20,22-25H,11-13H2,1-5H3,(H,28,36)(H,29,34)/t19-,20+,22+,23-,24+,25+/m0/s1