EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C33H44N4O5 |
| Net Charge | 0 |
| Average Mass | 576.738 |
| Monoisotopic Mass | 576.33117 |
| SMILES | [H]O[C@]([H])(C([H])([H])N([H])[C@]([H])(C(=O)N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)c1c([H])c(OC([H])([H])C([H])([H])C([H])([H])[H])c([H])c(N2C(=O)C([H])([H])C([H])=C2[H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] |
| InChI | InChI=1S/C33H44N4O5/c1-3-17-42-28-20-25(19-27(21-28)37-16-10-15-31(37)39)33(41)36-29(18-24-11-6-4-7-12-24)30(38)22-34-23(2)32(40)35-26-13-8-5-9-14-26/h4,6-7,10-12,16,19-21,23,26,29-30,34,38H,3,5,8-9,13-15,17-18,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1 |
| InChIKey | OCMGZBXBWVXWRJ-KEPSJGTLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide (CHEBI:49943) is a unclassifieds (CHEBI:27189) |
| Synonym | Source |
|---|---|
| N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| VG4 | PDBeChem |