LY382884
(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Also Known As: GTPL4247|LY 382884|SID:134222949|(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-decahydroisoquinoline-3-carboxylic acid|(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid|3-Isoquinolinecarboxylic acid, 6-[(4-carboxyphenyl)methyl]decahydro-, (3S,4aR,6S,8aR)-|6-(4-Carboxy-benzyl)-decahydro-isoquinoline-3-carboxylic acid|(3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydro-3-isoquinolinecarboxylic acid|(3S, 4aR,6S, 8aR)-6-((4-carboxyphenyl)methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid)|(3S,4aR,6S,8aR)-6-((4-carboxyphenyl)methyl)-decahydroisoquinoline-3-carboxylic acid|(3S,4aR,6S,8aR)-6-(4-Carboxy-benzyl)-decahydro-isoquinoline-3-carboxylic acid|(3S,4aR,6S,8aR)-6-[(4-Carboxyphenyl)methyl]decahydroisoquinoline-3-carboxylic acid|(4aalpha,8aalpha)-Decahydro-6beta-(4-carboxybenzyl)-3alpha-isoquinolinecarboxylic acid|(3s,4ar,6s,8ar)-6-(4-carboxyphenyl)methyl-1,2,3,4,4a,5,6,7,8,8a-decahydro isoquinoline-3-carboxylic acid|(3s,4ar,6s,8ar)-6-(4-carboxyphenyl)methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
| Molecular Formula | C18H23NO4 |
|---|---|
| Molecular Weight | 317.16272 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.16272 |
| Monoisotopic Mass | 317.16272 |
| Heavy Atoms | 23 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 211566-75-5 |
|---|---|
| SMILES | C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CC3=CC=C(C=C3)C(=O)O)C(=O)O |
| InChIKey | YVMADKYPKNLVGU-BVUBDWEXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
LY382884 (CAS 211566-75-5), with molecular formula C18H23NO4 and molecular weight 317.16272 g/mol. IUPAC: (3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid.