ACS
1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE
Find entries where: ACS
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE |
| Identifiers | (2S)-2-amino-6-[[(3R,4R)-1-[(2S)-1-hydroxy-3-[(S)-methylsulfinyl]-1-oxo-propan-2-yl]-2-oxo-4-sulfanyl-azetidin-3-yl]amino]-6-oxo-hexanoic acid |
| Formula | C13 H21 N3 O7 S2 |
| Molecular Weight | 395.452 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[S@](=O)C[C@H](C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CCC[C@@H](C(=O)O)N)S |
| InChI | InChI=1S/C13H21N3O7S2/c1-25(23)5-7(13(21)22)16-10(18)9(11(16)24)15-8(17)4-2-3-6(14)12(19)20/h6-7,9,11,24H,2-5,14H2,1H3,(H,15,17)(H,19,20)(H,21,22)/t6-,7+,9+,11+,25-/m0/s1 |
| InChIKey | UFLVUEXXBDLOEJ-QUNHDKFLSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 46 |
| Chiral Atom Count | 5 |
| Bond Count | 46 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB03004? |
|---|---|
| Name | (2S)-2-amino-6-[[(3R,4R)-1-[(1S)-1-carboxy-2-[(S)-methylsulfinyl]ethyl]-2-oxo-4-sulfanylazetidin-3-yl]amino]-6-oxohexanoic acid |
| Groups | experimental |
| Synonyms | (2S)-2-amino-6-[[(3R,4R)-1-[(1S)-1-carboxy-2-[(S)-methylsulfinyl]ethyl]-2-oxo-4-sulfanylazetidin-3-yl]amino]-6-oxohexanoic acid |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 9600398 |
