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CHEBI:41374 - N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-α-asparagine
| Formula | C29H39N5O7S |
| Net Charge | 0 |
| Average Mass | 601.726 |
| Monoisotopic Mass | 601.25702 |
| SMILES | [H]/N=C(/c1c([H])c([H])c(C([H])([H])[C@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N([H])C(=O)[C@@]([H])(N([H])S(=O)(=O)c2c(C([H])([H])[H])c([H])c(OC([H])([H])[H])c(C([H])([H])[H])c2C([H])([H])[H])C([H])([H])C(=O)O[H])c([H])c1[H])N([H])[H] |
| InChI | InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1 |
| InChIKey | ZOXOKTJHZSUHRJ-XZOQPEGZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-α-asparagine (CHEBI:41374) is a L-asparagine derivative (CHEBI:52987) |
| N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-α-asparagine (CHEBI:41374) is a carboxamidine (CHEBI:35359) |
| N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-α-asparagine (CHEBI:41374) is a piperidones (CHEBI:48589) |
| N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-α-asparagine (CHEBI:41374) is a sulfonamide (CHEBI:35358) |
| Synonyms | Source |
|---|---|
| [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE | PDBeChem |
| N-[(1R)-1-(4-carbamimidoylbenzyl)-2-oxo-2-piperidin-1-ylethyl]-N~2~-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-alpha-asparagine | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| CCR | PDBeChem |