(2S,3R)-2-[[methyl(7H-purin-6-yl)carbamoyl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: (2S,3R)-2-[[methyl(7H-purin-6-yl)carbamoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-3-hydroxy-2-[[methyl(7H-purin-6-yl)carbamoyl]amino]butanoic acid CAS Name: (2S,3R)-3-hydroxy-2-[[[methyl(7H-purin-6-yl)amino]-oxomethyl]amino]butanoic acid IUPAC Name: (2S,3R)-3-hydroxy-2-[[methyl(7H-purin-6-yl)carbamoyl]amino]butanoic acid Traditional Name: (2S,3R)-3-hydroxy-2-[[methyl(7H-purin-6-yl)carbamoyl]amino]butyric acid Formula: C11H14N6O4 MolecularWeight: 294.26666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)N(C)C1=NC=NC2=C1NC=N2)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)N(C)C1=NC=NC2=C1NC=N2)O

InChI

InChI=1S/C11H14N6O4/c1-5(18)6(10(19)20)16-11(21)17(2)9-7-8(13-3-12-7)14-4-15-9/h3-6,18H,1-2H3,(H,16,21)(H,19,20)(H,12,13,14,15)/t5-,6+/m1/s1