2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetic acid
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![2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/971b135982b04fa9968be5c641239e62.png "2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetic acid")
2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetic acid
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CAS No:
162540-93-4
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Formula:
C32H47N3O9
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Chemical Name:
2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetic acid
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Synonyms:
162540-93-4;12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(carboxymethoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3S-(3R*,4S*,8S*,9R*))-;12-Oxa-2,6,10-triazatetradecanoic acid, 3-[[4-(carboxymethoxy)phenyl]methyl]-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, [3S-(3R*,4S*,8S*,9R*)]-;CHEMBL293525;DTXSID80167403;(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(carboxymethoxy)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester;[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-(carboxymethoxy)phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester;2-[4-[(2S,3R)-2-(tert-butoxycarbonylamino)-4-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-hydroxy-butyl]phenoxy]acetic acid
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CAS No:
2-[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenoxy]acetic acid Basic Attributes
617.7 g/mol
617.33123009 g/mol
DTXSID80167403
Computed Properties
Molecular Weight:617.7
XLogP3:1.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:19
Exact Mass:617.33123009
Monoisotopic Mass:617.33123009
Topological Polar Surface Area:176
Heavy Atom Count:44
Complexity:875
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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