Carbamic acid, (1-((4-(2-(diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (R)-

HCID 42235

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Basic information

CAS: 57228-61-2
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-HZPIKELBSA-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, (R)-
IUPAC: 2-[4-[(2R)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate

Names & synonyms

Carbamic acid, (1-((4-(2-(diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (R)-57228-61-2RefChem:1080785CR 627O-(2-Diethylaminoethyl)-N-carbobenzoxy-D-tyrosyl-di-n-propylamide oxalate

Database identifiers

CAS: 57228-61-2
PubChem CID: 42235

Properties

Computed structural properties

Topological polar surface area: 150 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 42
Formal charge: 0
Complexity: 671

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