[2-[[(2S)-2-azanyl-3-methyl-pentanoyl]oxymethyl]-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] (2S)-2-azanyl-3-methyl-pentanoate

Systemtic Name: [2-[[(2S)-2-azanyl-3-methyl-pentanoyl]oxymethyl]-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)butyl] (2S)-2-azanyl-3-methyl-pentanoate Openeye Name: [2-[[(2S)-2-amino-3-methyl-pentanoyl]oxymethyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] (2S)-2-amino-3-methyl-pentanoate CAS Name: (2S)-2-amino-3-methylpentanoic acid [2-[[(2S)-2-amino-3-methyl-1-oxopentoxy]methyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] ester IUPAC Name: [2-[[(2S)-2-amino-3-methylpentanoyl]oxymethyl]-4-(2-amino-6-oxo-3H-purin-9-yl)butyl] (2S)-2-amino-3-methylpentanoate Traditional Name: (2S)-2-amino-3-methyl-valeric acid [4-(2-amino-6-keto-3H-purin-9-yl)-2-[[(2S)-2-amino-3-methyl-pentanoyl]oxymethyl]butyl] ester Formula: C22H37N7O5 MolecularWeight: 479.57308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)C(C(C)CC)N)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)COC(=O)[C@H](C(C)CC)N)N

InChI

InChI=1S/C22H37N7O5/c1-5-12(3)15(23)20(31)33-9-14(10-34-21(32)16(24)13(4)6-2)7-8-29-11-26-17-18(29)27-22(25)28-19(17)30/h11-16H,5-10,23-24H2,1-4H3,(H3,25,27,28,30)/t12?,13?,14?,15-,16-/m0/s1