methyl (2S)-2-[[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl-tert-butoxycarbonyl-sulfamoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]sulfamoyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl-tert-butoxycarbonyl-sulfamoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H33N7O9S MolecularWeight: 607.63602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)S(=O)(=O)NC(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(C[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)O)S(=O)(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H33N7O9S/c1-25(2,3)41-24(36)32(42(37,38)30-15(22(35)39-4)10-14-8-6-5-7-9-14)12-17-16(33)11-18(40-17)31-13-27-19-20(31)28-23(26)29-21(19)34/h5-9,13,15-18,30,33H,10-12H2,1-4H3,(H3,26,28,29,34)/t15-,16-,17+,18+/m0/s1