7H-purin-6-ylsulfanylmethyl (2S)-2-azanyl-3-methyl-butanoate

Systemtic Name: 7H-purin-6-ylsulfanylmethyl (2S)-2-azanyl-3-methyl-butanoate Openeye Name: 7H-purin-6-ylsulfanylmethyl (2S)-2-amino-3-methyl-butanoate CAS Name: (2S)-2-amino-3-methylbutanoic acid (7H-purin-6-ylthio)methyl ester IUPAC Name: 7H-purin-6-ylsulfanylmethyl (2S)-2-amino-3-methylbutanoate Traditional Name: (2S)-2-amino-3-methyl-butyric acid (7H-purin-6-ylthio)methyl ester Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCSC1=NC=NC2=C1NC=N2)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OCSC1=NC=NC2=C1NC=N2)N

InChI

InChI=1S/C11H15N5O2S/c1-6(2)7(12)11(17)18-5-19-10-8-9(14-3-13-8)15-4-16-10/h3-4,6-7H,5,12H2,1-2H3,(H,13,14,15,16)/t7-/m0/s1