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

HCID 42226

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Basic information

CAS: 57228-40-7
Standard SMILES: CCCN(CCC)C(=O)[C@H](Cc1ccc(OCC[NH+](C)C)cc1)NC(=O)OCc1ccccc1.O=C([O-])C(=O)O
InChIKey: DBSZXTBOMPWHEO-UQIIZPHYSA-N
Molecular formula: C29H41N3O8
Average molar mass: 559.7 g/mol
Monoisotopic mass: 559.28936527

Names & identifiers

Preferred name: Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-
IUPAC: 2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-dimethylazanium;2-hydroxy-2-oxoacetate

Names & synonyms

CR 603O-(2-Dimethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-di-n-propylamide oxalateCarbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-57228-40-7RefChem:331749

Database identifiers

CAS: 57228-40-7
PubChem CID: 42226

Properties

Computed structural properties

Topological polar surface area: 150 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 15
Heavy atoms: 40
Formal charge: 0
Complexity: 644

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