methyl (2S)-2-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-furan-2-yl]methoxy-(4-tert-butylphenoxy)phosphoryl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-furan-2-yl]methoxy-(4-tert-butylphenoxy)phosphoryl]amino]propanoate Openeye Name: methyl (2S)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-furyl]methoxy-(4-tert-butylphenoxy)phosphoryl]amino]propanoate CAS Name: (2S)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-furanyl]methoxy-(4-tert-butylphenoxy)phosphoryl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxyfuran-2-yl]methoxy-(4-tert-butylphenoxy)phosphoryl]amino]propanoate Traditional Name: (2S)-2-[[[5-(2-amino-6-keto-3H-purin-9-yl)-4-hydroxy-2-furyl]methoxy-(4-tert-butylphenoxy)phosphoryl]amino]propionic acid methyl ester Formula: C24H29N6O8P MolecularWeight: 560.496221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP(=O)(OCC1=CC(=C(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC)NP(=O)(OCC1=CC(=C(O1)N2C=NC3=C2NC(=NC3=O)N)O)OC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C24H29N6O8P/c1-13(22(33)35-5)29-39(34,38-15-8-6-14(7-9-15)24(2,3)4)36-11-16-10-17(31)21(37-16)30-12-26-18-19(30)27-23(25)28-20(18)32/h6-10,12-13,31H,11H2,1-5H3,(H,29,34)(H3,25,27,28,32)/t13-,39?/m0/s1