4-azanyl-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid hydrate

Systemtic Name: 4-azanyl-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid hydrate Openeye Name: 4-amino-5-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid hydrate CAS Name: 4-amino-5-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-5-oxopentanoic acid hydrate IUPAC Name: 4-amino-5-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-5-oxopentanoic acid hydrate Traditional Name: 4-amino-5-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid hydrate Formula: C8H16N2O6S MolecularWeight: 268.28744

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C(C(=O)NC(CS)C(=O)O)N.O

Isomeric SMILES

C(CC(=O)O)C(C(=O)NC(CS)C(=O)O)N.O

InChI

InChI=1S/C8H14N2O5S.H2O/c9-4(1-2-6(11)12)7(13)10-5(3-16)8(14)15;/h4-5,16H,1-3,9H2,(H,10,13)(H,11,12)(H,14,15);1H2