2-[carboxymethyl-[(4R)-4-[(3R,5S,7S,8R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
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![2-[carboxymethyl-[(4R)-4-[(3R,5S,7S,8R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0da6f66f448d41279652c9d7a0b4ff99.png "2-[carboxymethyl-[(4R)-4-[(3R,5S,7S,8R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid")
2-[carboxymethyl-[(4R)-4-[(3R,5S,7S,8R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
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CAS No:
99956-32-8
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Formula:
C28H45NO7
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Chemical Name:
2-[carboxymethyl-[(4R)-4-[(3R,5S,7S,8R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
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Synonyms:
UDC-CMG;ursodeoxycholyl N-carboxymethylglycine;99956-32-8;Ursodeoxycholyl N-carboxymethylglycine;DTXSID70912368;2-[carboxymethyl-[(4R)-4-[(3R,5S,7S,8R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;2,2'-[(3,7-Dihydroxy-24-oxocholan-24-yl)azanediyl]diacetic acid
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CAS No:
2-[carboxymethyl-[(4R)-4-[(3R,5S,7S,8R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid Basic Attributes
507.7 g/mol
507.31960277 g/mol
Computed Properties
Molecular Weight:507.7
XLogP3:4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:507.31960277
Monoisotopic Mass:507.31960277
Topological Polar Surface Area:135
Heavy Atom Count:36
Complexity:847
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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