(2R,3R,4S)-3-acetamido-4-[[azanyl-(1-hexanoyloxyethoxycarbonylamino)methylidene]amino]-2-[(2R,3R,4R)-3,4-bis(oxidanyl)oxan-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2R,3R,4S)-3-acetamido-4-[[azanyl-(1-hexanoyloxyethoxycarbonylamino)methylidene]amino]-2-[(2R,3R,4R)-3,4-bis(oxidanyl)oxan-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,3R,4S)-3-acetamido-4-[[amino-(1-hexanoyloxyethoxycarbonylamino)methylene]amino]-2-[(2R,3R,4R)-3,4-dihydroxytetrahydropyran-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,3R,4S)-3-acetamido-4-[[amino-[[oxo-[1-(1-oxohexoxy)ethoxy]methyl]amino]methylidene]amino]-2-[(2R,3R,4R)-3,4-dihydroxy-2-oxanyl]-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,3R,4S)-3-acetamido-4-[[amino-(1-hexanoyloxyethoxycarbonylamino)methylidene]amino]-2-[(2R,3R,4R)-3,4-dihydroxyoxan-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,3R,4S)-3-acetamido-4-[[amino-(1-caproyloxyethoxycarbonylamino)methylene]amino]-2-[(2R,3R,4R)-3,4-dihydroxytetrahydropyran-2-yl]-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C23H36N4O11 MolecularWeight: 544.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)OC(=O)NC(=NC1C=C(OC(C1NC(=O)C)C2C(C(CCO2)O)O)C(=O)O)N

Isomeric SMILES

CCCCCC(=O)OC(C)OC(=O)NC(=N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@H]2[C@@H]([C@@H](CCO2)O)O)C(=O)O)N

InChI

InChI=1S/C23H36N4O11/c1-4-5-6-7-16(30)36-12(3)37-23(34)27-22(24)26-13-10-15(21(32)33)38-19(17(13)25-11(2)28)20-18(31)14(29)8-9-35-20/h10,12-14,17-20,29,31H,4-9H2,1-3H3,(H,25,28)(H,32,33)(H3,24,26,27,34)/t12?,13-,14+,17+,18+,19+,20+/m0/s1