| CAS Number | 221877-56-1 |
| Catalog Number | AG01EO0M(AGN-PC-0QYTBB) |
| Chemical Name | 42-(2-Tetrazolyl)rapamycin |
| IUPAC Name | (1R,9S,12R,32R)-1,18-dihydroxy-19,30-dimethoxy-12-[1-[3-methoxy-4-(tetrazol-2-yl)cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
| InChI | InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-54-30-53-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/t31?,33?,34?,35?,37?,38?,39-,40?,41+,43?,44-,45?,47?,48?,52-/m1/s1 |
| InChI Key | IURNHYDSJVLLPN-YCAQQYPTSA-N |
| MDL Number | MFCD31619289 |
| Molecular Formula | C52H79N5O12 |
| Molecular Weight | 966.2100 |
| SMILES | C1CC[C@@]2([H])C(O[C@]([H])([C@@H](C[C@@H]3CC[C@H](N4N=NC=N4)[C@H](OC)C3)C)CC(=O)[C@@H](C=C([C@@H](O)[C@H](C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@@H](OC)C[C@@]3([H])O[C@](O)([C@H](C)CC3)C(=O)C(=O)N2C1)OC)C)C)=O |
| Synonyms | 42-(2-Tetrazolyl)rapamycin,
221877-56-1,
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