Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(ethylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-
Basic information
- CAS
57228-49-6- Standard SMILES
CCNC(=O)[C@H](Cc1ccc(OCC[NH+](C)C)cc1)NC(=O)OCc1ccccc1.O=C([O-])C(=O)O- InChIKey
RETOBOSZYRWPLN-BOXHHOBZSA-N- Molecular formula
- C25H33N3O8
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.22676502
Names & identifiers
- Preferred name
- Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(ethylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-
- IUPAC
- 2-[4-[(2S)-3-(ethylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
CR 610O-(2-Dimethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-ethylamide oxalateCarbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(ethylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-57228-49-6RefChem:331751
Database identifiers
- CAS
57228-49-6- PubChem CID
- 42230
Properties
Computed structural properties
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 579
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