Antibiotic SF 1902A4a
(E)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2-dimethyl-3-oxodec-5-enamide
Also Known As: Antibiotic SF 1902A4a|SF-1902A4a|Glycine, N-(N-(N-(N-(N-(3-hydroxy-2-methyl-1-oxodecyl)-N-methyl-L-leucyl)-L-alloisoleucyl)-L-seryl)-L-allothreonyl)-, rho-lactone|(E)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2-dimethyl-3-oxodec-5-enamide
| Molecular Formula | C33H59N5O9 |
|---|---|
| Molecular Weight | 669.4313 g/mol |
| LogP | 0.1833 |
| Topological Polar Surface Area | 214.47 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 669.4313 |
| Monoisotopic Mass | 669.4313 |
| Heavy Atoms | 47 |
| Complexity | 1049.5175 |
Chemical Identifiers
| CAS Number | 80458-07-7 |
|---|---|
| SMILES | CCCC/C=C/CC(=O)C(C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NCCO |
Product Overview
Antibiotic SF 1902A4a (CAS 80458-07-7), with molecular formula C33H59N5O9 and molecular weight 669.4313 g/mol. IUPAC: (E)-N-[(2S)-1-[[(2S,3R)-1-[[(2S)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2-dimethyl-3-oxodec-5-enamide.