5-azanyl-5-oxidanylidene-2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]pentanoic acid; technetium-99

Systemtic Name: 5-azanyl-5-oxidanylidene-2-[2-[2-(2-sulfanylethanoylamino)ethanoylamino]ethanoylamino]pentanoic acid; technetium-99 Openeye Name: 5-amino-5-oxo-2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]pentanoic acid; technetium-99 CAS Name: 5-amino-2-[[2-[[2-[(2-mercapto-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid; technetium-99 IUPAC Name: 5-amino-5-oxo-2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]pentanoic acid; technetium-99 Traditional Name: 5-amino-5-keto-2-[[2-[[2-[(2-mercaptoacetyl)amino]acetyl]amino]acetyl]amino]valeric acid; technetium-99 Formula: C11H18N4O6STc MolecularWeight: 433.255075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)N)C(C(=O)O)NC(=O)CNC(=O)CNC(=O)CS.[Tc]

Isomeric SMILES

C(CC(=O)N)C(C(=O)O)NC(=O)CNC(=O)CNC(=O)CS.[99Tc]

InChI

InChI=1S/C11H18N4O6S.Tc/c12-7(16)2-1-6(11(20)21)15-9(18)4-13-8(17)3-14-10(19)5-22;/h6,22H,1-5H2,(H2,12,16)(H,13,17)(H,14,19)(H,15,18)(H,20,21);/i;1+1