Chemical Component Summary | |
|---|---|
| Name | ISOPENICILLIN N |
| Identifiers | (2S,5R,6R)-6-[[(5S)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Formula | C14 H21 N3 O6 S |
| Molecular Weight | 359.398 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C |
| InChI | InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1 |
| InChIKey | MIFYHUACUWQUKT-GTQWGBSQSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 45 |
| Chiral Atom Count | 4 |
| Bond Count | 46 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 25201752, 440723 |
| ChEBI | CHEBI:18165 |
