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2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate

2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate structure

CAS No:
57228-42-9
Formula:
C31H45N3O8
Chemical Name:
2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate
Synonyms:
57228-42-9;CR 830;O-(2-Diethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-di-n-propylamide oxalate;Carbamic acid, (1-((4-(2-diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-

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2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate Basic Attributes

Molecular Weight：

587.7 g/mol

Exact Mass：

587.32066540 g/mol

Characteristics

PSA：

150 Å²

Computed Properties

Molecular Weight:587.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:587.32066540
Monoisotopic Mass:587.32066540
Topological Polar Surface Area:150
Heavy Atom Count:42
Complexity:671
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[4-[(2S)-3-(dipropylamino)-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]ethyl-diethylazanium;2-hydroxy-2-oxoacetate

Basic Attributes
Characteristics
Computed Properties

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