T2R
(1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate
Find entries where: T2R
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (1S,3aR,5S,6R,7aS)-octahydro-1,6-epoxy-2-benzofuran-5-yl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]-1-phenylbutan-2-yl}carbamate |
| Identifiers | n/a |
| Formula | C33 H44 N4 O8 S |
| Molecular Weight | 656.789 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C |
| InChI | InChI=1S/C33H44N4O8S/c1-19(2)16-37(46(40,41)23-10-11-25-28(14-23)44-32(35-25)34-20(3)4)17-27(38)26(12-21-8-6-5-7-9-21)36-33(39)45-29-13-22-18-42-31-24(22)15-30(29)43-31/h5-11,14,19-20,22,24,26-27,29-31,38H,12-13,15-18H2,1-4H3,(H,34,35)(H,36,39)/t22-,24-,26-,27+,29-,30+,31-/m0/s1 |
| InChIKey | LVSYGMOPBBVUQW-LZYYYSQTSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 90 |
| Chiral Atom Count | 7 |
| Bond Count | 95 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 146035572 |
