2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
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2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
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CAS No:
69776-17-6
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Formula:
C26H41NO4
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Chemical Name:
2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
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Synonyms:
3 beta-hydroxy-5-cholenoyl glycine;3-hydroxy-5-cholenoylglycine;69776-17-6;3-Hydroxy-5-cholenoylglycine;3beta-Hydroxy-5-cholenoyl glycine;CHEMBL3736327;DTXSID10989953;2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;N-(3,24-Dihydroxychol-5-en-24-ylidene)glycine;Glycine, N-((3beta)-3-hydroxy-24-oxochol-5-en-24-yl)-
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CAS No:
2-[[(4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid Basic Attributes
431.6 g/mol
431.30355879 g/mol
Computed Properties
Molecular Weight:431.6
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:431.30355879
Monoisotopic Mass:431.30355879
Topological Polar Surface Area:86.6
Heavy Atom Count:31
Complexity:748
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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