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Home > Encyclopedia > methyl 2-[[(4R)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate

methyl 2-[[(4R)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate

methyl 2-[[(4R)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate structure

methyl 2-[[(4R)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate 

structure
  • CAS No:

    84573-10-4

  • Formula:

    C27H43NO4

  • Chemical Name:

    methyl 2-[[(4R)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate

  • Synonyms:

    3-dehydrolithocholylglycine;84573-10-4;3-Dehydrolithocholylglycine;DTXSID401004851;methyl 2-[[(4R)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate;N-(2-Methoxy-2-oxoethyl)-3-oxocholan-24-imidic acid;Glycine, N-((5beta)-3,24-dioxocholan-24-yl)-, methyl ester

methyl 2-[[(4R)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate Basic Attributes

445.6 g/mol

445.31920885 g/mol

Characteristics

72.5 Ų

Drug Information

3-dehydrolithocholylglycine

Computed Properties

Molecular Weight:445.6
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:445.31920885
Monoisotopic Mass:445.31920885
Topological Polar Surface Area:72.5
Heavy Atom Count:32
Complexity:750
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[[(4R)-4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate

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