EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H33N7O4 |
| Net Charge | 0 |
| Average Mass | 471.562 |
| Monoisotopic Mass | 471.25940 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O |
| InChI | InChI=1S/C23H33N7O4/c1-15-9-30(16(2)13-31)23(33)19-8-18(25-22(32)12-29-14-24-26-27-29)6-7-20(19)34-21(15)11-28(3)10-17-4-5-17/h6-8,14-17,21,31H,4-5,9-13H2,1-3H3,(H,25,32)/t15-,16+,21-/m0/s1 |
| InChIKey | IVVQQSAIPXBTJQ-MRUHUIDDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide (CHEBI:124757) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36199 | LINCS |