(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
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![(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/09fa72bf1b7045d18bbbbdd2767fb524.png "(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide")
(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
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CAS No:
156880-90-9
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Formula:
C34H43N5O6S
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Chemical Name:
(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide
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Synonyms:
KNI-279;5-iQoa-Val-Apns-Thz-NHtBu;156880-90-9;5Isoquinoline-O-CH2-CO-Val-(2S,3S)-AHPBA-Thz-NH-tBu;(R)-N-tert-Butyl-3-((2S,3S)-2-hydroxy-3-((S)-2-(5-isoquinolinyloxyactyl)amino-3methylbutanoyl)amino-4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide;(R)-N-tert-Butyl-3-[(2S,3S)-2-hydroxy-3-[(S)-2-(5-isoquinolinyloxyactyl)amino-3methylbutanoyl]amino-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide;DTXSID10935556;(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide;(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methyl-butanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide;N-tert-Butyl-3-(2-hydroxy-3-{[1-hydroxy-2-({1-hydroxy-2-[(isoquinolin-5-yl)oxy]ethylidene}amino)-3-methylbutylidene]amino}-4-phenylbutanoyl)-1,3-thiazolidine-4-carboximidic acid
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CAS No:
(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide Basic Attributes
649.8 g/mol
649.29340528 g/mol
Computed Properties
Molecular Weight:649.8
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:649.29340528
Monoisotopic Mass:649.29340528
Topological Polar Surface Area:175
Heavy Atom Count:46
Complexity:1050
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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