EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H37N3O7 |
| Net Charge | 0 |
| Average Mass | 527.618 |
| Monoisotopic Mass | 527.26315 |
| SMILES | COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1C(=O)O)C[C@@H](C)[C@H](OC)CN(C)C2=O |
| InChI | InChI=1S/C28H37N3O7/c1-18-13-31(14-20-8-6-7-9-22(20)28(34)35)19(2)16-38-24-12-21(29-26(32)17-36-4)10-11-23(24)27(33)30(3)15-25(18)37-5/h6-12,18-19,25H,13-17H2,1-5H3,(H,29,32)(H,34,35)/t18-,19-,25-/m1/s1 |
| InChIKey | UNFSHZIULPNSJS-MPCDZSKCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[(5S,6R,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid (CHEBI:111928) is a azamacrocycle (CHEBI:52898) |
| 2-[[(5S,6R,9R)-5-methoxy-14-[(2-methoxy-1-oxoethyl)amino]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-yl]methyl]benzoic acid (CHEBI:111928) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23341 | LINCS |