sodium 2-[[(3S)-3-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]disulfanyl]ethanesulfonate

Systemtic Name: sodium 2-[[(3S)-3-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]disulfanyl]ethanesulfonate Openeye Name: sodium 2-[[(3S)-3-[[(2S)-2-amino-5-hydroxy-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butyl]disulfanyl]ethanesulfonate CAS Name: sodium 2-[[(3S)-3-[[(2S)-2-amino-5-hydroxy-1,5-dioxopentyl]amino]-4-hydroxy-4-oxobutyl]disulfanyl]ethanesulfonate IUPAC Name: sodium 2-[[(3S)-3-[[(2S)-2-amino-5-hydroxy-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutyl]disulfanyl]ethanesulfonate Traditional Name: sodium 2-[[(3S)-3-[[(2S)-2-amino-5-hydroxy-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butyl]disulfanyl]ethanesulfonate Formula: C11H19N2NaO8S3 MolecularWeight: 426.46193

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(C(=O)NC(CCSSCCS(=O)(=O)[O-])C(=O)O)N.[Na+]

Isomeric SMILES

C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCSSCCS(=O)(=O)[O-])C(=O)O)N.[Na+]

InChI

InChI=1S/C11H20N2O8S3.Na/c12-7(1-2-9(14)15)10(16)13-8(11(17)18)3-4-22-23-5-6-24(19,20)21;/h7-8H,1-6,12H2,(H,13,16)(H,14,15)(H,17,18)(H,19,20,21);/q;+1/p-1/t7-,8-;/m0./s1