(E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-N-[2-(4-nitrothiophen-2-yl)-2-oxidanylidene-ethyl]but-2-enamide

Systemtic Name: (E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-N-[2-(4-nitrothiophen-2-yl)-2-oxidanylidene-ethyl]but-2-enamide Openeye Name: (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-N-[2-(4-nitro-2-thienyl)-2-oxo-ethyl]but-2-enamide CAS Name: (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-N-[2-(4-nitro-2-thiophenyl)-2-oxoethyl]-2-butenamide IUPAC Name: (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-N-[2-(4-nitrothiophen-2-yl)-2-oxoethyl]but-2-enamide Traditional Name: (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-N-[2-keto-2-(4-nitro-2-thienyl)ethyl]-3-methyl-but-2-enamide Formula: C23H32N2O9S MolecularWeight: 512.57318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)NCC(=O)C3=CC(=CS3)[N+](=O)[O-])C)C(C)O

Isomeric SMILES

C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)NCC(=O)C3=CC(=CS3)[N+](=O)[O-])/C)[C@H](C)O

InChI

InChI=1S/C23H32N2O9S/c1-11(5-20(28)24-8-16(27)19-7-15(10-35-19)25(31)32)4-17-22(30)21(29)14(9-33-17)6-18-23(34-18)12(2)13(3)26/h5,7,10,12-14,17-18,21-23,26,29-30H,4,6,8-9H2,1-3H3,(H,24,28)/b11-5+/t12-,13-,14-,17-,18-,21+,22-,23-/m0/s1