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

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]-3-propanoyloxy-propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-propanoyloxy-propyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-(1-oxopropoxy)propyl] ester IUPAC Name: [2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]-3-propanoyloxypropyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]-3-propionyloxy-propyl] ester Formula: C25H32N6O8 MolecularWeight: 544.55698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(COC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCC(=O)OCC(COC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C25H32N6O8/c1-4-18(32)36-11-17(39-14-31-13-27-20-21(31)29-24(26)30-22(20)33)12-37-23(34)19(15(2)3)28-25(35)38-10-16-8-6-5-7-9-16/h5-9,13,15,17,19H,4,10-12,14H2,1-3H3,(H,28,35)(H3,26,29,30,33)/t17?,19-/m0/s1