sodium 2-[[(2R)-2-[[(2S)-2-azanyl-4-sulfanyl-butanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]ethanesulfonate

Systemtic Name: sodium 2-[[(2R)-2-[[(2S)-2-azanyl-4-sulfanyl-butanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]ethanesulfonate Openeye Name: sodium 2-[[(2R)-2-[[(2S)-2-amino-4-sulfanyl-butanoyl]amino]-3-hydroxy-3-oxo-propyl]disulfanyl]ethanesulfonate CAS Name: sodium 2-[[(2R)-2-[[(2S)-2-amino-4-mercapto-1-oxobutyl]amino]-3-hydroxy-3-oxopropyl]disulfanyl]ethanesulfonate IUPAC Name: sodium 2-[[(2R)-2-[[(2S)-2-amino-4-sulfanylbutanoyl]amino]-3-hydroxy-3-oxopropyl]disulfanyl]ethanesulfonate Traditional Name: sodium 2-[[(2R)-2-[[(2S)-2-amino-4-mercapto-butanoyl]amino]-3-hydroxy-3-keto-propyl]disulfanyl]ethanesulfonate Formula: C9H17N2NaO6S4 MolecularWeight: 400.49085

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Descriptors Computed from Structure

Canonical SMILES:

C(CS)C(C(=O)NC(CSSCCS(=O)(=O)[O-])C(=O)O)N.[Na+]

Isomeric SMILES

C(CS)[C@@H](C(=O)N[C@@H](CSSCCS(=O)(=O)[O-])C(=O)O)N.[Na+]

InChI

InChI=1S/C9H18N2O6S4.Na/c10-6(1-2-18)8(12)11-7(9(13)14)5-20-19-3-4-21(15,16)17;/h6-7,18H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16,17);/q;+1/p-1/t6-,7-;/m0./s1