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CHEBI:46321 - 3-[(2S)-3-(4-β-alanylpiperazin-1-yl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzenecarboximidamide
| Formula | C32H48N6O4S |
| Net Charge | 0 |
| Average Mass | 612.841 |
| Monoisotopic Mass | 612.34578 |
| SMILES | [H]/N=C(/c1c([H])c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])N(C(=O)C([H])([H])C([H])([H])N([H])[H])C([H])([H])C2([H])[H])N([H])S(=O)(=O)c2c(C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c(C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c2C([H])(C([H])([H])[H])C([H])([H])[H])c1[H])N([H])[H] |
| InChI | InChI=1S/C32H48N6O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)43(41,42)36-28(17-23-8-7-9-24(16-23)31(34)35)32(40)38-14-12-37(13-15-38)29(39)10-11-33/h7-9,16,18-22,28,36H,10-15,17,33H2,1-6H3,(H3,34,35)/t28-/m0/s1 |
| InChIKey | WATXEHGLYJKXOF-NDEPHWFRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-[(2S)-3-(4-β-alanylpiperazin-1-yl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzenecarboximidamide (CHEBI:46321) is a N-acylpiperazine (CHEBI:46844) |
| 3-[(2S)-3-(4-β-alanylpiperazin-1-yl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzenecarboximidamide (CHEBI:46321) is a carboxamidine (CHEBI:35359) |
| 3-[(2S)-3-(4-β-alanylpiperazin-1-yl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzenecarboximidamide (CHEBI:46321) is a sulfonamide (CHEBI:35358) |
| 3-[(2S)-3-(4-β-alanylpiperazin-1-yl)-3-oxo-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propyl]benzenecarboximidamide (CHEBI:46321) is a β-alanine derivative (CHEBI:22823) |
| Synonyms | Source |
|---|---|
| [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE | PDBeChem |
| 3-[(2S)-3-(4-beta-alanylpiperazin-1-yl)-3-oxo-2-({[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}amino)propyl]benzenecarboximidamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| UKP | PDBeChem |