2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-sulfanyl-propanoyl]-ethyl-amino]ethanoate

Systemtic Name: 2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-sulfanyl-propanoyl]-ethyl-amino]ethanoate Openeye Name: 2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-sulfanyl-propanoyl]-ethyl-amino]acetate CAS Name: 2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-mercapto-1-oxopropyl]-ethylamino]acetate IUPAC Name: 2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-sulfanylpropanoyl]-ethylamino]acetate Traditional Name: 2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-mercapto-propanoyl]-ethyl-amino]acetate Formula: C12H20N3O6S- MolecularWeight: 334.3687

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)[O-])C(=O)C(CS)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CCN(CC(=O)[O-])C(=O)C(CS)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C12H21N3O6S/c1-2-15(5-10(18)19)12(21)8(6-22)14-11(20)7(13)3-4-9(16)17/h7-8,22H,2-6,13H2,1H3,(H,14,20)(H,16,17)(H,18,19)/p-1