4-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]butanoic acid
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![4-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a58873618a8945329b7bec02938f6fba.png "4-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]butanoic acid")
4-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]butanoic acid
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CAS No:
137525-09-8
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Formula:
C22H31NO3
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Chemical Name:
4-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]butanoic acid
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Synonyms:
N-((3-hydroxy-1,3,5(10)-estratrien-17beta-yl))-3-carboxypropylamine;proacame;Proacame;137525-09-8;DTXSID10929814;N-((3-Hydroxy-1,3,5(10)-estratrien-17beta-yl))-3-carboxypropylamine;4-{[3-Hydroxyestra-1(10),2,4-trien-17-yl]amino}butanoic acid
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CAS No:
4-[[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]butanoic acid Basic Attributes
357.5 g/mol
357.23039385 g/mol
Computed Properties
Molecular Weight:357.5
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:357.23039385
Monoisotopic Mass:357.23039385
Topological Polar Surface Area:69.6
Heavy Atom Count:26
Complexity:524
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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