 Home > Encyclopedia > tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate

tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate

tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate structure

CAS No:
127852-91-9
Formula:
C31H42N4O7
Chemical Name:
tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate
Synonyms:
CHEMBL115292;127852-91-9;BDBM50010502;L-Proline, 1-((2S,3S)-3-(((2S)-4-amino-1,4-dioxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-, 1,1-dimethylethyl ester;tert-Butyl 1-(3-((2S)-3-carbamoyl-2-((phenylmethoxy)carbonylamino)propanoylamino)(2S,3S)-2-hydroxy-4-phenylbutyl)pyrrolidine-2-carboxylate;L-Proline, 1-[(2S,3S)-3-[[(2S)-4-amino-1,4-dioxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-2-hydroxy-4-phenylbutyl]-, 1,1-dimethylethyl ester;tert-Butyl 1-(3-{(2S)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanoylamino}(2S,3S)-2-hydroxy-4-phenylbutyl)pyrrolidine-2-carboxylate;CHEMBL24199;SCHEMBL7269347;DTXSID10926000;1-[3-(2-Benzyloxycarbonylamino-3-carbamoyl-propionylamino)-2-hydroxy-4-phenyl-butyl]-pyrrolidine-2-carboxylic acid tert-butyl ester;BDBM50005687;Benzyoxycarbonyl-Asn-Phe-[S]-[CH(OH)CH2N]Pro-Otert-butyl;2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N~1~-{4-[2-(tert-butoxycarbonyl)pyrrolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl}butanediimidic acid;tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carboxylate

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tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate Basic Attributes

Molecular Weight：

582.7 g/mol

Exact Mass：

582.30534969 g/mol

Characteristics

PSA：

160 Å²

Computed Properties

Molecular Weight:582.7
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:16
Exact Mass:582.30534969
Monoisotopic Mass:582.30534969
Topological Polar Surface Area:160
Heavy Atom Count:42
Complexity:896
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-butyl (2S)-1-[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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