(2R)-2-acetamido-3-[[(2R)-2-acetamido-3-oxidanidyl-3-oxidanylidene-propyl]disulfanyl]propanoate; [(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium

Systemtic Name: (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-oxidanidyl-3-oxidanylidene-propyl]disulfanyl]propanoate; [(5S)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]azanium Openeye Name: (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-oxido-3-oxo-propyl]disulfanyl]propanoate; [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]ammonium CAS Name: (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-oxido-3-oxopropyl]disulfanyl]propanoate; [(5S)-5-amino-6-hydroxy-6-oxohexyl]ammonium IUPAC Name: (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-oxido-3-oxopropyl]disulfanyl]propanoate; [(5S)-5-amino-6-hydroxy-6-oxohexyl]azanium Traditional Name: (2R)-2-acetamido-3-[[(2R)-2-acetamido-3-keto-3-oxido-propyl]disulfanyl]propionate; [(5S)-5-amino-6-hydroxy-6-keto-hexyl]ammonium Formula: C22H44N6O10S2 MolecularWeight: 616.74896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSSCC(C(=O)[O-])NC(=O)C)C(=O)[O-].C(CC[NH3+])CC(C(=O)O)N.C(CC[NH3+])CC(C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H](CSSC[C@@H](C(=O)[O-])NC(=O)C)C(=O)[O-].C(CC[NH3+])C[C@@H](C(=O)O)N.C(CC[NH3+])C[C@@H](C(=O)O)N

InChI

InChI=1S/C10H16N2O6S2.2C6H14N2O2/c1-5(13)11-7(9(15)16)3-19-20-4-8(10(17)18)12-6(2)14;2*7-4-2-1-3-5(8)6(9)10/h7-8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)(H,17,18);2*5H,1-4,7-8H2,(H,9,10)/t7-,8-;2*5-/m000/s1