(2S)-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S)-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid CAS Name: (2S)-3-hydroxy-2-[[[[2-(methylthio)-7H-purin-6-yl]amino]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-hydroxy-2-[(2-methylsulfanyl-7H-purin-6-yl)carbamoylamino]butanoic acid Traditional Name: (2S)-3-hydroxy-2-[[2-(methylthio)-7H-purin-6-yl]carbamoylamino]butyric acid Formula: C11H14N6O4S MolecularWeight: 326.33166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)NC1=NC(=NC2=C1NC=N2)SC)O

Isomeric SMILES

CC([C@@H](C(=O)O)NC(=O)NC1=NC(=NC2=C1NC=N2)SC)O

InChI

InChI=1S/C11H14N6O4S/c1-4(18)5(9(19)20)14-10(21)15-8-6-7(13-3-12-6)16-11(17-8)22-2/h3-5,18H,1-2H3,(H,19,20)(H3,12,13,14,15,16,17,21)/t4?,5-/m0/s1