EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H35Cl2N3O4 |
| Net Charge | 0 |
| Average Mass | 548.511 |
| Monoisotopic Mass | 547.20046 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O |
| InChI | InChI=1S/C28H35Cl2N3O4/c1-17-13-33(18(2)16-34)27(35)12-21-11-22(31-28(36)20-5-6-20)7-9-25(21)37-26(17)15-32(3)14-19-4-8-23(29)24(30)10-19/h4,7-11,17-18,20,26,34H,5-6,12-16H2,1-3H3,(H,31,36)/t17-,18+,26-/m0/s1 |
| InChIKey | HSZCUBFTTZDVGX-DFXHWTJYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide (CHEBI:128149) is a dichlorobenzene (CHEBI:23697) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39704 | LINCS |