(2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid
group of stereoisomers with the chemical formula C₂₂H₂₉N₇O₅
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(2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid
Summary
(2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid is a group of stereoisomers[1].
Key Facts
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's instance of is recorded as group of stereoisomers[2].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's canonical SMILES is recorded as COc1ccc(CC(N)C(=O)NC2C(CO)OC(n3cnc4c(N(C)C)ncnc43)C2O)cc1[3].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's InChI is recorded as InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16?,18+,22+/m0/s1[4].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's InChIKey is recorded as RXWNCPJZOCPEPQ-WABMVTPESA-N[5].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's chemical formula is recorded as C₂₂H₂₉N₇O₅[6].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's subclass of is recorded as biogenic purinyloxolane[7].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's PubChem CID is recorded as 11953804[8].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's isomeric SMILES is recorded as COc1ccc(CC@HC(=O)NC2C@@HC@HO[C@@H]2CO)cc1C@HC(=O)NC2C@@H[C@">[9].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+471.223017028'}[10].
- (2S)-2-amino-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanimidic acid's SureChEMBL ID is recorded as 20815730[11].