(2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-3-methyl-butanoic acid; technetium-99

Systemtic Name: (2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-3-methyl-butanoic acid; technetium-99 Openeye Name: (2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]-3-methyl-butanoic acid; technetium-99 CAS Name: (2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]amino]-3-methylbutanoic acid; technetium-99 IUPAC Name: (2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]-3-methylbutanoic acid; technetium-99 Traditional Name: (2S)-2-[[(E)-(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]amino]-3-methyl-butyric acid; technetium-99 Formula: C13H18N2O4Tc MolecularWeight: 365.199275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(C(C)C)C(=O)O)C1=O)CO.[Tc]

Isomeric SMILES

CC1=NC=C(/C(=C\N[C@@H](C(C)C)C(=O)O)/C1=O)CO.[99Tc]

InChI

InChI=1S/C13H18N2O4.Tc/c1-7(2)11(13(18)19)15-5-10-9(6-16)4-14-8(3)12(10)17;/h4-5,7,11,15-16H,6H2,1-3H3,(H,18,19);/b10-5+;/t11-;/m0./s1/i;1+1