ethyl (2S,5S)-2-acetamido-5-(phenylmethoxycarbonylamino)-6-[(2R,3R,4R)-3,4,5-triacetyloxyoxolan-2-yl]hexanoate

Systemtic Name: ethyl (2S,5S)-2-acetamido-5-(phenylmethoxycarbonylamino)-6-[(2R,3R,4R)-3,4,5-triacetyloxyoxolan-2-yl]hexanoate Openeye Name: ethyl (2S,5S)-2-acetamido-5-(benzyloxycarbonylamino)-6-[(2R,3R,4R)-3,4,5-triacetoxytetrahydrofuran-2-yl]hexanoate CAS Name: (2S,5S)-2-acetamido-5-(phenylmethoxycarbonylamino)-6-[(2R,3R,4R)-3,4,5-triacetyloxy-2-oxolanyl]hexanoic acid ethyl ester IUPAC Name: ethyl (2S,5S)-2-acetamido-5-(phenylmethoxycarbonylamino)-6-[(2R,3R,4R)-3,4,5-triacetyloxyoxolan-2-yl]hexanoate Traditional Name: (2S,5S)-2-acetamido-5-(benzyloxycarbonylamino)-6-[(2R,3R,4R)-3,4,5-triacetoxytetrahydrofuran-2-yl]hexanoic acid ethyl ester Formula: C28H38N2O12 MolecularWeight: 594.60752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(CC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O12/c1-6-37-26(35)22(29-16(2)31)13-12-21(30-28(36)38-15-20-10-8-7-9-11-20)14-23-24(39-17(3)32)25(40-18(4)33)27(42-23)41-19(5)34/h7-11,21-25,27H,6,12-15H2,1-5H3,(H,29,31)(H,30,36)/t21-,22-,23+,24+,25+,27?/m0/s1