Isosulfazecin
(2S)-2-amino-5-[[(2S)-2-[[(3R)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino]propanoyl]amino]-5-oxopentanoic acid
Also Known As: Isosulfazecin|Sulfazecin|(R)-D-gamma-Glutamyl-N-(3-methoxy-2-oxo-1-sulfo-3-azetidinyl)-L-alaninamide|5-Hydroxy-5-({N-[(3R)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]-L-alanyl}imino)-L-norvaline|5-Hydroxy-5-{[N-(3-methoxy-2-oxo-1-sulfoazetidin-3-yl)alanyl]imino}norvaline|L-Alaninamide, D-gamma-glutamyl-N-(3-methoxy-2-oxo-1-sulfo-3-azetidinyl)-, (R)-|n-[(2s)-2-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino}propanoyl]-l-glutamine|(2S)-2-amino-5-[[(2S)-2-[[(3R)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino]propanoyl]amino]-5-oxopentanoic acid
| Molecular Formula | C12H20N4O9S |
|---|---|
| Molecular Weight | 396.0951 g/mol |
| LogP | -7.5 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 396.0951 |
| Monoisotopic Mass | 396.0951 |
| Heavy Atoms | 26 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 77900-75-5 |
|---|---|
| SMILES | C[C@@H](C(=O)NC(=O)CC[C@@H](C(=O)O)N)N[C@]1(CN(C1=O)S(=O)(=O)O)OC |
| InChIKey | KCIKJWRMLAZSHN-DJOAAKCGSA-N |
Product Overview
Isosulfazecin (CAS 77900-75-5), with molecular formula C12H20N4O9S and molecular weight 396.0951 g/mol. IUPAC: (2S)-2-amino-5-[[(2S)-2-[[(3R)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino]propanoyl]amino]-5-oxopentanoic acid.