2-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4-azanyl-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-3-sulfooxy-oxan-2-yl]oxy-3-oxidanyl-phenyl]prop-2-enoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4-azanyl-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-3-sulfooxy-oxan-2-yl]oxy-3-oxidanyl-phenyl]prop-2-enoyl]amino]ethanesulfonic acid Openeye Name: 2-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-3-sulfooxy-tetrahydropyran-2-yl]oxy-3-hydroxy-phenyl]prop-2-enoyl]amino]ethanesulfonic acid CAS Name: 2-[[(E)-3-[4-[[(2S,3R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4-amino-5-hydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-3-sulfooxy-2-oxanyl]oxy]-3-hydroxyphenyl]-1-oxoprop-2-enyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxy-6-methyl-3-sulfooxyoxan-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]amino]ethanesulfonic acid Traditional Name: 2-[[(E)-3-[4-[(2S,3R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-3-sulfoxy-tetrahydropyran-2-yl]oxy-3-hydroxy-phenyl]acryloyl]amino]ethanesulfonic acid Formula: C24H36N2O15S2 MolecularWeight: 656.67704

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=C(C=C(C=C2)C=CC(=O)NCCS(=O)(=O)O)O)OS(=O)(=O)O)O)OC3CC(C(C(O3)C)O)(C)N

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)/C=C/C(=O)NCCS(=O)(=O)O)O)OS(=O)(=O)O)O)O[C@H]3C[C@]([C@@H]([C@H](O3)C)O)(C)N

InChI

InChI=1S/C24H36N2O15S2/c1-12-20(40-18-11-24(3,25)22(30)13(2)37-18)19(29)21(41-43(34,35)36)23(38-12)39-16-6-4-14(10-15(16)27)5-7-17(28)26-8-9-42(31,32)33/h4-7,10,12-13,18-23,27,29-30H,8-9,11,25H2,1-3H3,(H,26,28)(H,31,32,33)(H,34,35,36)/b7-5+/t12-,13-,18+,19+,20-,21-,22-,23+,24+/m1/s1