Lithocholylglycine

2-[4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

Also Known As: Lithocholylglycine|Glycolithocholic acid|Glycolithocholic acid-d4|Glycolithocholic acid,sodium salt|2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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|5|A-Cholanic acid-3|A-ol N-(carboxymethyl)-amide|2-[4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid|N-[(3a,5b)-3-Hydroxy-24-oxocholan-24-yl]-(9CI) glycine|N-[(3|A,5|A)-3-| section signydroxy-24-oxocholan-24-yl]glycine|2-(((4R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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-(4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoylamino)acetic acid|976-051-6

Molecular Formula	C26H43NO4
Molecular Weight	433.3192 g/mol
LogP	4.6233
Topological Polar Surface Area	86.63 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	433.3192
Monoisotopic Mass	433.3192
Heavy Atoms	31
Complexity	694.8945

Chemical Identifiers

CAS Number	79252-50-9
SMILES	CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C