2-[[(2R)-2-[2-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]sulfanylethanoylamino]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-[2-[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]sulfanylethanoylamino]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-[[2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]sulfanylacetyl]amino]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[[2-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]thio]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-[[2-[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]sulfanylacetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-[[2-[[[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]thio]acetyl]amino]-3-mercapto-propanoyl]amino]acetic acid Formula: C17H24N7O11PS2 MolecularWeight: 597.516521

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)SCC(=O)NC(CS)C(=O)NCC(=O)O)O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)SCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)O)O)NC(=NC2=O)N

InChI

InChI=1S/C17H24N7O11PS2/c18-17-22-13-10(15(31)23-17)20-5-24(13)16-12(29)11(28)7(35-16)2-34-36(32,33)38-4-8(25)21-6(3-37)14(30)19-1-9(26)27/h5-7,11-12,16,28-29,37H,1-4H2,(H,19,30)(H,21,25)(H,26,27)(H,32,33)(H3,18,22,23,31)/t6-,7+,11+,12+,16+/m0/s1