2-[(1-azanyl-5-sulfanylidene-pentan-3-yl)-[2-[2,3-bis(oxidanyl)propylamino]-2-oxidanylidene-ethyl]amino]ethanoic acid dihydrobromide

Systemtic Name: 2-[(1-azanyl-5-sulfanylidene-pentan-3-yl)-[2-[2,3-bis(oxidanyl)propylamino]-2-oxidanylidene-ethyl]amino]ethanoic acid dihydrobromide Openeye Name: 2-[[1-(2-aminoethyl)-3-thioxo-propyl]-[2-(2,3-dihydroxypropylamino)-2-oxo-ethyl]amino]acetic acid dihydrobromide CAS Name: 2-[(1-amino-5-sulfanylidenepentan-3-yl)-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]amino]acetic acid dihydrobromide IUPAC Name: 2-[(1-amino-5-sulfanylidenepentan-3-yl)-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]amino]acetic acid dihydrobromide Traditional Name: 2-[[1-(2-aminoethyl)-3-thioxo-propyl]-[2-(glycerylamino)-2-keto-ethyl]amino]acetic acid dihydrobromide Formula: C12H25Br2N3O5S MolecularWeight: 483.217

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Descriptors Computed from Structure

Canonical SMILES:

C(CN)C(CC=S)N(CC(=O)NCC(CO)O)CC(=O)O.Br.Br

Isomeric SMILES

C(CN)C(CC=S)N(CC(=O)NCC(CO)O)CC(=O)O.Br.Br

InChI

InChI=1S/C12H23N3O5S.2BrH/c13-3-1-9(2-4-21)15(7-12(19)20)6-11(18)14-5-10(17)8-16;;/h4,9-10,16-17H,1-3,5-8,13H2,(H,14,18)(H,19,20);2*1H