(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
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![(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fbc624d185594da9b5cf9d1d359e35a7.png "(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate")
(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
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CAS No:
956778-02-2
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Formula:
C27H29NO6S
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Chemical Name:
(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate
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Synonyms:
ZINC2095742;AKOS030497860;(S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)-4-(methylthio)butanoate;956778-02-2
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CAS No:
(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Basic Attributes
495.6 g/mol
495.17155882 g/mol
Computed Properties
Molecular Weight:495.6
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:495.17155882
Monoisotopic Mass:495.17155882
Topological Polar Surface Area:116
Heavy Atom Count:35
Complexity:808
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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