Carbamic acid, (1-((4-(2-(diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (+-)-
Basic information
- CAS
57287-53-3- Standard SMILES
CCCN(CCC)C(=O)C(Cc1ccc(OCC[NH+](CC)CC)cc1)NC(=O)OCc1ccccc1.O=C([O-])C(=O)O- InChIKey
NMMRDLUHILKXKV-UHFFFAOYSA-N- Molecular formula
- C31H45N3O8
- Average molar mass
- 587.7 g/mol
- Monoisotopic mass
- 587.3206654
Names & identifiers
- Preferred name
- Carbamic acid, (1-((4-(2-(diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (+-)-
- IUPAC
- 2-[4-[3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
57287-53-3Carbamic acid, (1-((4-(2-(diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (+-)-RefChem:1080784O-(2-Diethylaminoethyl)-N-carbobenzoxy-DL-tyrosyl-di-n-propylamide oxalateCR 832
Database identifiers
- CAS
57287-53-3- PubChem CID
- 42259
Properties
Computed structural properties
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 671
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Compound notes
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