2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoyl]amino]-3-sulfino-propanoic acid

Systemtic Name: 2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoyl]amino]-3-sulfino-propanoic acid Openeye Name: 2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]-3-sulfino-propanoic acid CAS Name: 2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexyl]amino]-3-sulfinopropanoic acid IUPAC Name: 2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]-3-sulfinopropanoic acid Traditional Name: 2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]-3-sulfino-propionic acid Formula: C9H17NO10S MolecularWeight: 331.29698

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(C(=O)NC(CS(=O)O)C(=O)O)O)O)O)O)O

Isomeric SMILES

C([C@H]([C@H]([C@@H]([C@H](C(=O)NC(CS(=O)O)C(=O)O)O)O)O)O)O

InChI

InChI=1S/C9H17NO10S/c11-1-4(12)5(13)6(14)7(15)8(16)10-3(9(17)18)2-21(19)20/h3-7,11-15H,1-2H2,(H,10,16)(H,17,18)(H,19,20)/t3?,4-,5-,6+,7-/m1/s1