[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-2-(2-azanylethanoylamino)-3-methyl-butanoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2S)-2-(2-azanylethanoylamino)-3-methyl-butanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] (2S)-2-[(2-aminoacetyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-3-methylbutanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-hydroxypropyl] (2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-(glycylamino)-3-methyl-butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-hydroxy-propyl] ester Formula: C16H25N7O6 MolecularWeight: 411.413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)NC(=O)CN

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(CO)OCN1C=NC2=C1NC(=NC2=O)N)NC(=O)CN

InChI

InChI=1S/C16H25N7O6/c1-8(2)11(20-10(25)3-17)15(27)28-5-9(4-24)29-7-23-6-19-12-13(23)21-16(18)22-14(12)26/h6,8-9,11,24H,3-5,7,17H2,1-2H3,(H,20,25)(H3,18,21,22,26)/t9?,11-/m0/s1