(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide
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![(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2b0f5e8a4e8140bd9f8ef6c402541503.png "(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide")
(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide
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CAS No:
141804-42-4
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Formula:
C36H45N5O7S
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Chemical Name:
(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide
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Synonyms:
Butanediamide, N1-(3-(4-(((1,1-dimethylethyl)amino)carbonyl)-5,5-dimethyl-3-thiazolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-2-(((1-naphthalenyloxy)acetyl)amino)-, (4R-(3(1S*(S*),2S*),4R*))-;KNI 174;KNI-174;KNI174;N-tert-butyl-3-(2-hydroxy-3-N-(N(2)-(1-naphthyloxyacetyl)asparaginyl)amino-4-phenylbutanoyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide;Noa-Asn-Apns-Dmt-NH-tBu;Kni 174;Kni-174;BDBM793;(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide;(2S)-N-[(1S,2S)-1-benzyl-3-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl]-2-[[2-(1-naphthyloxy)acetyl]amino]butanediamide;(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[2-(naphthalen-1-yloxy)acetamido]butanediamide;N^1-[3-[4-[[(1,1-Dimethylethyl)amino]carbonyl]-5,5-dimethyl-3-thiazolidinyl]-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-2-[[(1-naphthalenyloxy)acetyl]amino]butanediamide, [4R-[3[1S*,(S*).2S*]],4R*]]
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CAS No:
(2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide Basic Attributes
691.8 g/mol
691.30396997 g/mol
Drug Information
Butanediamide, N1-(3-(4-(((1,1-dimethylethyl)amino)carbonyl)-5,5-dimethyl-3-thiazolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-2-(((1-naphthalenyloxy)acetyl)amino)-, (4R-(3(1S*(S*),2S*),4R*))-
Computed Properties
Molecular Weight:691.8
XLogP3:3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:691.30396997
Monoisotopic Mass:691.30396997
Topological Polar Surface Area:206
Heavy Atom Count:49
Complexity:1190
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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