S-(Carboxymethyl)-N-(3,7,24-trihydroxycholan-24-ylidene)cysteine
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S-(Carboxymethyl)-N-(3,7,24-trihydroxycholan-24-ylidene)cysteine
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CAS No:
119059-81-3
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Formula:
C29H47NO7S
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Chemical Name:
S-(Carboxymethyl)-N-(3,7,24-trihydroxycholan-24-ylidene)cysteine
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Synonyms:
UDC-cysA;ursodeoxycholylcysteic acid;119059-81-3;Udc-cysa;DTXSID70922861;S-(Carboxymethyl)-N-(3,7,24-trihydroxycholan-24-ylidene)cysteine;(2R)-3-(carboxymethylsulfanyl)-2-[[(4R)-4-[(3R,5S,7S,10S,13R,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]propanoic acid
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CAS No:
S-(Carboxymethyl)-N-(3,7,24-trihydroxycholan-24-ylidene)cysteine Basic Attributes
553.8 g/mol
553.30732401 g/mol
Computed Properties
Molecular Weight:553.8
XLogP3:4.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:553.30732401
Monoisotopic Mass:553.30732401
Topological Polar Surface Area:170
Heavy Atom Count:38
Complexity:900
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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