
| CAS Number | 36531-78-9 |
| Catalog Number | AG0079NU(AGN-PC-0RCC64) |
| Chemical Name | Ikarugamycin |
| IUPAC Name | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione |
| InChI | InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1 |
| InChI Key | GHXZHWYUSAWISC-KZRBWAKNSA-N |
| MDL Number | MFCD01722005 |
| Molecular Formula | C29H38N2O4 |
| Molecular Weight | 478.6230 |
| SMILES | O=C(C1=C(O)[C@H](CCCN2)NC1=O)/C=C/[C@@H]3C[C@@]4([H])[C@@](C=C[C@]5([H])[C@]4([H])C[C@@H](C)[C@H]5CC)([H])[C@H]3C/C=CC2=O |
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