sodium 2-[[(3S)-3-(2-azanylethanoylamino)-4-oxidanyl-4-oxidanylidene-butyl]disulfanyl]ethanesulfonate

Systemtic Name: sodium 2-[[(3S)-3-(2-azanylethanoylamino)-4-oxidanyl-4-oxidanylidene-butyl]disulfanyl]ethanesulfonate Openeye Name: sodium 2-[[(3S)-3-[(2-aminoacetyl)amino]-4-hydroxy-4-oxo-butyl]disulfanyl]ethanesulfonate CAS Name: sodium 2-[[(3S)-3-[(2-amino-1-oxoethyl)amino]-4-hydroxy-4-oxobutyl]disulfanyl]ethanesulfonate IUPAC Name: sodium 2-[[(3S)-3-[(2-aminoacetyl)amino]-4-hydroxy-4-oxobutyl]disulfanyl]ethanesulfonate Traditional Name: sodium 2-[[(3S)-3-(glycylamino)-4-hydroxy-4-keto-butyl]disulfanyl]ethanesulfonate Formula: C8H15N2NaO6S3 MolecularWeight: 354.39927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C(CSSCCS(=O)(=O)[O-])[C@@H](C(=O)O)NC(=O)CN.[Na+]

InChI

InChI=1S/C8H16N2O6S3.Na/c9-5-7(11)10-6(8(12)13)1-2-17-18-3-4-19(14,15)16;/h6H,1-5,9H2,(H,10,11)(H,12,13)(H,14,15,16);/q;+1/p-1/t6-;/m0./s1