(2S)-1-[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3R)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1-oxo-2-[[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methyl]amino]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3R)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-[[(2S)-1-carbobenzoxyprolyl]amino]butanoyl]proline Formula: C36H48N4O15 MolecularWeight: 776.78412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N1CCCC1C(=O)O)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C36H48N4O15/c1-19(52-35-29(37-20(2)41)31(54-23(5)44)30(53-22(4)43)27(55-35)18-50-21(3)42)28(33(46)39-15-10-14-26(39)34(47)48)38-32(45)25-13-9-16-40(25)36(49)51-17-24-11-7-6-8-12-24/h6-8,11-12,19,25-31,35H,9-10,13-18H2,1-5H3,(H,37,41)(H,38,45)(H,47,48)/t19-,25+,26+,27-,28+,29-,30+,31-,35+/m1/s1