Molecule Identification Common Name 4-[(2S,15R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-N-(2-sulfoethyl)pentanimidic acid Definition 4-[(2S,15R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-N-(2-sulfoethyl)pentanimidic acid belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid. Based on a literature review very few articles have been published on 4-[(2S,15R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-N-(2-sulfoethyl)pentanimidic acid. Structure [H]C(C)(CCC(O)=NCCS(O)(=O)=O)C1([H])CCC2([H])C3([H])CCC4([H])CC(=O)CC[C@]4(C)C3([H])CC[C@]12C InChI=1S/C26H43NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-18,20-23H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17?,18?,20?,21?,22?,23?,25-,26+/m0/s1 Synonyms Value Source 4-[(2S,15R)-2,15-Dimethyl-5-oxotetracyclo[8.7.0.0,.0,]heptadecan-14-yl]-N-(2-sulfoethyl)pentanimidate Generator 4-[(2S,15R)-2,15-Dimethyl-5-oxotetracyclo[8.7.0.0,.0,]heptadecan-14-yl]-N-(2-sulphoethyl)pentanimidate Generator 4-[(2S,15R)-2,15-Dimethyl-5-oxotetracyclo[8.7.0.0,.0,]heptadecan-14-yl]-N-(2-sulphoethyl)pentanimidic acid Generator 4-[(2S,15R)-2,15-Dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-N-(2-sulfoethyl)pentanimidate Generator 4-[(2S,15R)-2,15-Dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-N-(2-sulphoethyl)pentanimidate Generator 4-[(2S,15R)-2,15-Dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-N-(2-sulphoethyl)pentanimidic acid Generator
Chemical Formula C26 H43 NO5 S Average Molecular Weight 481.69 Monoisotopic Molecular Weight 481.286194663 IUPAC Name 4-[(2S,15R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-N-(2-sulfoethyl)pentanimidic acid Traditional Name 4-[(2S,15R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-N-(2-sulfoethyl)pentanimidic acid CAS Registry Number Not Available SMILES [H]C(C)(CCC(O)=NCCS(O)(=O)=O)C1([H])CCC2([H])C3([H])CCC4([H])CC(=O)CC[C@]4(C)C3([H])CC[C@]12C
InChI Identifier InChI=1S/C26H43NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-18,20-23H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17?,18?,20?,21?,22?,23?,25-,26+/m0/s1
InChI Key SSNSOUYAFHIRME-FJJGLOIVSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Steroids and steroid derivatives Sub Class Bile acids, alcohols and derivatives Direct Parent Bile acids, alcohols and derivatives Alternative Parents Substituents Bile acid, alcohol, or derivatives
3-oxosteroid
Oxosteroid
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Organosulfonic acid
Sulfonyl
Alkanesulfonic acid
Ketone
Cyclic ketone
Organic 1,3-dipolar compound
Carboximidic acid derivative
Carboximidic acid
Propargyl-type 1,3-dipolar organic compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Organic oxygen compound
Aliphatic homopolycyclic compound Molecular Framework Aliphatic homopolycyclic compounds External Descriptors Not Available 
