5-[2-[2-(2-ethanoylsulfanylethanoylamino)ethanoylamino]ethanoylamino]pentanoic acid; technetium-99; hydrate

Systemtic Name: 5-[2-[2-(2-ethanoylsulfanylethanoylamino)ethanoylamino]ethanoylamino]pentanoic acid; technetium-99; hydrate Openeye Name: 5-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]pentanoic acid; technetium-99; hydrate CAS Name: 5-[[2-[[2-[[2-(acetylthio)-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]pentanoic acid; technetium-99; hydrate IUPAC Name: 5-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]pentanoic acid; technetium-99; hydrate Traditional Name: 5-[[2-[[2-[[2-(acetylthio)acetyl]amino]acetyl]amino]acetyl]amino]valeric acid; technetium-99; hydrate Formula: C13H23N3O7STc MolecularWeight: 464.308875

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NCC(=O)NCC(=O)NCCCCC(=O)O.O.[Tc]

Isomeric SMILES

CC(=O)SCC(=O)NCC(=O)NCC(=O)NCCCCC(=O)O.O.[99Tc]

InChI

InChI=1S/C13H21N3O6S.H2O.Tc/c1-9(17)23-8-12(20)16-7-11(19)15-6-10(18)14-5-3-2-4-13(21)22;;/h2-8H2,1H3,(H,14,18)(H,15,19)(H,16,20)(H,21,22);1H2;/i;;1+1