(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
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![(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bfa4f0ab68a24e9e9c826e0489e0c9b2.png "(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate")
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
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CAS No:
1173688-33-9
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Formula:
C27H31NO6S
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Chemical Name:
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
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Synonyms:
ZINC2094731;STL462708;AKOS016362614;MCULE-2545154911;(2S,3R)-4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl 3-methyl-2-(4-methylphenylsulfonamido)pentanoate;1173688-33-9;4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl (2S,3R)-3-methyl-2-{[(4-methylphenyl)sulfonyl]amino}pentanoate;4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl N-[(4-methylphenyl)sulfonyl]-L-isoleucinate
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CAS No:
(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl) (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Basic Attributes
497.6 g/mol
497.18720888 g/mol
Computed Properties
Molecular Weight:497.6
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:497.18720888
Monoisotopic Mass:497.18720888
Topological Polar Surface Area:107
Heavy Atom Count:35
Complexity:930
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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