 Home > Encyclopedia > (2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

(2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

(2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide structure

CAS No:
144830-08-0
Formula:
C33H40N6O6
Chemical Name:
(2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Synonyms:
Qc-Asn-Apns-Pro-NH-tBu;CHEMBL337283;KNI-153;144830-08-0;N^2-(2-Quinolinylcarbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-L-prolinamide;SCHEMBL7421606;DTXSID30932421;KNI 153;BDBM50005701;(2S)-N-[(1S,2S)-1-benzyl-3-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-2-hydroxy-3-oxo-propyl]-2-(quinoline-2-carbonylamino)butanediamide;N*1*-[1-Benzyl-3-(2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-hydroxy-3-oxo-propyl]-2-[(quinoline-2-carbonyl)-amino]-succinamide;N~1~-(4-{2-[(tert-Butylimino)(hydroxy)methyl]pyrrolidin-1-yl}-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(quinoline-2-carbonyl)amino]butanediimidic acid

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(2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Basic Attributes

Molecular Weight：

616.7 g/mol

Exact Mass：

616.30093302 g/mol

Characteristics

PSA：

184 Å²

Computed Properties

Molecular Weight:616.7
XLogP3:1.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:616.30093302
Monoisotopic Mass:616.30093302
Topological Polar Surface Area:184
Heavy Atom Count:45
Complexity:1070
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

Basic Attributes
Characteristics
Computed Properties

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