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CHEBI:46444 - N-[(1S)-3-{[(benzyloxy)amino]sulfonyl}-1-(2-phenylethyl)propyl]-N-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide
| Formula | C33H43N5O5S |
| Net Charge | 0 |
| Average Mass | 621.804 |
| Monoisotopic Mass | 621.29849 |
| SMILES | [H]c1c([H])c([H])c(C([H])([H])ON([H])S(=O)(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H] |
| InChI | InChI=1S/C33H43N5O5S/c1-37-20-22-38(23-21-37)33(40)35-31(25-28-13-7-3-8-14-28)32(39)34-30(18-17-27-11-5-2-6-12-27)19-24-44(41,42)36-43-26-29-15-9-4-10-16-29/h2-16,30-31,36H,17-26H2,1H3,(H,34,39)(H,35,40)/t30-,31-/m0/s1 |
| InChIKey | PPIYQXGSPPWVLJ-CONSDPRKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(1S)-3-{[(benzyloxy)amino]sulfonyl}-1-(2-phenylethyl)propyl]-N-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide (CHEBI:46444) is a N-carbamoylpiperazine (CHEBI:46919) |
| N-[(1S)-3-{[(benzyloxy)amino]sulfonyl}-1-(2-phenylethyl)propyl]-N-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide (CHEBI:46444) is a N-methylpiperazine (CHEBI:46920) |
| N-[(1S)-3-{[(benzyloxy)amino]sulfonyl}-1-(2-phenylethyl)propyl]-N-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide (CHEBI:46444) is a L-phenylalanine derivative (CHEBI:84144) |
| N-[(1S)-3-{[(benzyloxy)amino]sulfonyl}-1-(2-phenylethyl)propyl]-N-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide (CHEBI:46444) is a sulfonamide (CHEBI:35358) |
| Synonyms | Source |
|---|---|
| 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE | PDBeChem |
| N-[(1S)-3-[(benzyloxy)sulfamoyl]-1-(2-phenylethyl)propyl]-Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-L-phenylalaninamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| VS4 | PDBeChem |