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CHEBI:43512 - (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
| Formula | C33H41N5O6S2 |
| Net Charge | 0 |
| Average Mass | 667.854 |
| Monoisotopic Mass | 667.24983 |
| SMILES | [H]O[C@]([H])(C(=O)N1C([H])([H])SC([H])([H])[C@@]1([H])C(=O)N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])Oc1c([H])c([H])c([H])c2c([H])nc([H])c([H])c12)C([H])([H])SC([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] |
| InChI | InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1 |
| InChIKey | NJBBLOIWMSYVCQ-VZTVMPNDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide (CHEBI:43512) is a L-cysteine derivative (CHEBI:83824) |
| (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide (CHEBI:43512) is a isoquinolines (CHEBI:24922) |
| (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide (CHEBI:43512) is a thiazolidinecarboxamide (CHEBI:48881) |
| Synonyms | Source |
|---|---|
| (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE | PDBeChem |
| (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| KNI | PDBeChem |