Details of JUBANINE A
| IUPAC | N-[1-[(13E)-10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-1-oxo-3-phenylpropan-2-yl]-2-(dimethylamino)-3-phenylpropanamide |
| Canonical Smiles | CCC(C)C1C(=O)NC=CC2=C(C=CC(=C2)OC3CCN(C3C(=O)N1)C(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N(C)C)OC |
| Inchi | YDFMRHVTUVJMHS-XUTLUUPISA-N |
| PubChem ID | 101316794 |
| Smiles | CCC(C)C1=NC(=O)C2C(CCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)CCNC1=O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCC%28C%29C1%3DNC%28%3DO%29C2C%28CCN2C%28%3DO%29C%28Cc2ccccc2%29NC%28%3DO%29C%28Cc2ccccc2%29N%28C%29C%29Oc2ccc%28OC%29c%28c2%29CCNC1%3DO/file?format=sdf&get3d=True -- CCC%28C%29C1%3DNC%28%3DO%29C2C%28CCN2C%28%3DO%29C%28Cc2ccccc2%29NC%28%3DO%29C%28Cc2ccccc2%29N%28C%29C%29Oc2ccc%28OC%29c%28c2%29CCNC1%3DO could not be loaded.
| Class | Peptide alkaloids,Ansa peptide alkaloids |
| Super Class | Amino acids and Peptides |
| Pathways | Alkaloids |