[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2-(2,2-dimethylpropanoylamino)propanoate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: 2-(pivaloylamino)propionic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C16H22N6O4 MolecularWeight: 362.38368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O4/c1-8(21-15(25)16(3,4)5)14(24)26-9(2)13(23)22-12-10-11(18-6-17-10)19-7-20-12/h6-9H,1-5H3,(H,21,25)(H2,17,18,19,20,22,23)