butyl (2S)-2-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-ethynyl-3-methylidene-4-oxidanyl-oxolan-2-yl]oxymethyl-[[(2S)-1-butoxy-1-oxidanylidene-propan-2-yl]amino]phosphoryl]amino]propanoate

Systemtic Name: butyl (2S)-2-[[[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-ethynyl-3-methylidene-4-oxidanyl-oxolan-2-yl]oxymethyl-[[(2S)-1-butoxy-1-oxidanylidene-propan-2-yl]amino]phosphoryl]amino]propanoate Openeye Name: butyl (2S)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-ethynyl-4-hydroxy-3-methylene-tetrahydrofuran-2-yl]oxymethyl-[[(1S)-2-butoxy-1-methyl-2-oxo-ethyl]amino]phosphoryl]amino]propanoate CAS Name: (2S)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-ethynyl-4-hydroxy-3-methylene-2-oxolanyl]oxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[[5-(2-amino-6-oxo-3H-purin-9-yl)-2-ethynyl-4-hydroxy-3-methylideneoxolan-2-yl]oxymethyl-[[(2S)-1-butoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate Traditional Name: (2S)-2-[[[5-(2-amino-6-keto-3H-purin-9-yl)-2-ethynyl-4-hydroxy-3-methylene-tetrahydrofuran-2-yl]oxymethyl-[[(1S)-2-butoxy-2-keto-1-methyl-ethyl]amino]phosphoryl]amino]propionic acid butyl ester Formula: C27H40N7O9P MolecularWeight: 637.621761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)NP(=O)(COC1(C(=C)C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)C#C)NC(C)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)[C@H](C)NP(=O)(COC1(C(=C)C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)C#C)N[C@@H](C)C(=O)OCCCC

InChI

InChI=1S/C27H40N7O9P/c1-7-10-12-40-24(37)17(5)32-44(39,33-18(6)25(38)41-13-11-8-2)15-42-27(9-3)16(4)20(35)23(43-27)34-14-29-19-21(34)30-26(28)31-22(19)36/h3,14,17-18,20,23,35H,4,7-8,10-13,15H2,1-2,5-6H3,(H2,32,33,39)(H3,28,30,31,36)/t17-,18-,20?,23?,27?/m0/s1