Chemical Component Summary | |
|---|---|
| Name | Sampatrilat |
| Identifiers | (2~{S})-2-[[[(2~{S})-6-azanyl-2-(methylsulfonylamino)hexanoyl]amino]methyl]-3-[1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopentyl]propanoic acid |
| Formula | C26 H40 N4 O9 S |
| Molecular Weight | 584.682 |
| Type | NON-POLYMER |
| Isomeric SMILES | CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O |
| InChI | InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1 |
| InChIKey | LPUDGHQMOAHMMF-JBACZVJFSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 80 |
| Chiral Atom Count | 3 |
| Bond Count | 81 |
| Aromatic Bond Count | 6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL42583 |
| PubChem | 6324648 |
| ChEMBL | CHEMBL42583 |
