Carbamic acid, (1-((4-(2-diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-
Basic information
- CAS
57228-42-9- Standard SMILES
CCCN(CCC)C(=O)[C@H](Cc1ccc(OCC[NH+](CC)CC)cc1)NC(=O)OCc1ccccc1.O=C([O-])C(=O)O- InChIKey
NMMRDLUHILKXKV-YCBFMBTMSA-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, (S)-
- IUPAC
- 2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
CR 830O-(2-Diethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-di-n-propylamide oxalateCarbamic acid, (1-((4-(2-diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-57228-42-9RefChem:331752
Database identifiers
- CAS
57228-42-9- PubChem CID
- 42228
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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