(2S)-6-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-2-(2-benzamidoethanoylamino)hexanoic acid

Systemtic Name: (2S)-6-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-2-(2-benzamidoethanoylamino)hexanoic acid Openeye Name: (2S)-6-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]amino]-2-[(2-benzamidoacetyl)amino]hexanoic acid CAS Name: (2S)-6-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]amino]-2-[(2-benzamido-1-oxoethyl)amino]hexanoic acid IUPAC Name: (2S)-6-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]-2-[(2-benzamidoacetyl)amino]hexanoic acid Traditional Name: (2S)-6-[[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]amino]-2-(hippuroylamino)hexanoic acid Formula: C25H33N8O10P MolecularWeight: 636.550881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC(=O)NC(CCCCNP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H](CCCCNP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)C(=O)O

InChI

InChI=1S/C25H33N8O10P/c26-21-18-22(29-12-28-21)33(13-30-18)24-20(36)19(35)16(43-24)11-42-44(40,41)31-9-5-4-8-15(25(38)39)32-17(34)10-27-23(37)14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,19-20,24,35-36H,4-5,8-11H2,(H,27,37)(H,32,34)(H,38,39)(H2,26,28,29)(H2,31,40,41)/t15-,16+,19+,20+,24+/m0/s1