Aspergillomarasmine B
(2S)-2-[[(2R)-2-carboxy-2-(carboxymethylamino)ethyl]amino]butanedioic acid
Also Known As: Aspergillomarasmine B|(2S)-2-[[(2R)-2-carboxy-2-(carboxymethylamino)ethyl]amino]butanedioic acid|Aspartic acid, N-(2-carboxy-2-((carboxymethyl)amino)ethyl)-|N-{(2R)-2-Carboxy-2-[(carboxymethyl)amino]ethyl}-L-aspartic acid|(2S)-2-(((2R)-2-(CARBOXYMETHYLAMINO)-3-HYDROXY-3-KETO-PROPYL)AMINO)SUCCINIC ACID|(2S)-2-(((2R)-2-carboxy-2-(carboxymethylamino)ethyl)amino)butanedioic acid|(2S)-2-[[(2R)-2-(carboxymethylamino)-3-hydroxy-3-oxopropyl]amino]butanedioic acid
| Molecular Formula | C9H14N2O8 |
|---|---|
| Molecular Weight | 278.075 g/mol |
| LogP | -2.3687 |
| Topological Polar Surface Area | 173.26 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 278.075 |
| Monoisotopic Mass | 278.075 |
| Heavy Atoms | 19 |
| Complexity | 369.2311 |
Chemical Identifiers
| CAS Number | 3262-58-6 |
|---|---|
| SMILES | C([C@@H](C(=O)O)NC[C@H](C(=O)O)NCC(=O)O)C(=O)O |
Product Overview
Aspergillomarasmine B (CAS 3262-58-6), with molecular formula C9H14N2O8 and molecular weight 278.075 g/mol. IUPAC: (2S)-2-[[(2R)-2-carboxy-2-(carboxymethylamino)ethyl]amino]butanedioic acid.
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