3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane

C98H143FN4O24 — CID 159657027

IUPAC3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane
SMILESC.C.C.C.CC(C)CNC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.CC[C@H](C)CNC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.C[C@]1(CCC(=O)NCCC(=O)O)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.C[C@]1(CCC(=O)NCc2cccc(F)c2)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H30FNO4.C23H35NO4.C22H33NO4.C21H29NO6.3CO2.4CH4/c1-24(11-10-22(31)27-14-15-4-3-5-16(26)12-15)20(29)8-6-17-18-7-9-21(30)25(18,2)13-19(28)23(17)24;1-5-14(2)13-24-20(28)10-11-22(3)18(26)8-6-15-16-7-9-19(27)23(16,4)12-17(25)21(15)22;1-13(2)12-23-19(27)9-10-21(3)17(25)7-5-14-15-6-8-18(26)22(15,4)11-16(24)20(14)21;1-20(9-7-17(26)22-10-8-18(27)28)15(24)5-3-12-13-4-6-16(25)21(13,2)11-14(23)19(12)20;3*2-1-3;;;;/h3-5,12,17-18,23H,6-11,13-14H2,1-2H3,(H,27,31);14-16,21H,5-13H2,1-4H3,(H,24,28);13-15,20H,5-12H2,1-4H3,(H,23,27);12-13,19H,3-11H2,1-2H3,(H,22,26)(H,27,28);;;;4*1H4/t17-,18-,23+,24-,25-;14-,15-,16-,21+,22-,23-;14-,15-,20+,21-,22-;12-,13-,19+,20-,21-;;;;;;;/m0000......./s1
InChIKeyMSHOUIQROXQDOB-JLOMTPQCSA-N
MW1780.22 g/mol
LogP13.08
Rot. Bonds22

About 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane

3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane (PubChem CID 159657027) has the molecular formula C98H143FN4O24 and a molecular weight of 1780.22 g/mol. Its IUPAC name is 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane.

Molecular Properties

Compound Name3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane
PubChem CID159657027
Molecular FormulaC98H143FN4O24
Molecular Weight1780.22 g/mol
Exact Mass1779.01
IUPAC Name3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane
SMILESC.C.C.C.CC(C)CNC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.CC[C@H](C)CNC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.C[C@]1(CCC(=O)NCCC(=O)O)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.C[C@]1(CCC(=O)NCc2cccc(F)c2)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H30FNO4.C23H35NO4.C22H33NO4.C21H29NO6.3CO2.4CH4/c1-24(11-10-22(31)27-14-15-4-3-5-16(26)12-15)20(29)8-6-17-18-7-9-21(30)25(18,2)13-19(28)23(17)24;1-5-14(2)13-24-20(28)10-11-22(3)18(26)8-6-15-16-7-9-19(27)23(16,4)12-17(25)21(15)22;1-13(2)12-23-19(27)9-10-21(3)17(25)7-5-14-15-6-8-18(26)22(15,4)11-16(24)20(14)21;1-20(9-7-17(26)22-10-8-18(27)28)15(24)5-3-12-13-4-6-16(25)21(13,2)11-14(23)19(12)20;3*2-1-3;;;;/h3-5,12,17-18,23H,6-11,13-14H2,1-2H3,(H,27,31);14-16,21H,5-13H2,1-4H3,(H,24,28);13-15,20H,5-12H2,1-4H3,(H,23,27);12-13,19H,3-11H2,1-2H3,(H,22,26)(H,27,28);;;;4*1H4/t17-,18-,23+,24-,25-;14-,15-,16-,21+,22-,23-;14-,15-,20+,21-,22-;12-,13-,19+,20-,21-;;;;;;;/m0000......./s1
InChIKeyMSHOUIQROXQDOB-JLOMTPQCSA-N
XLogP13.08
TPSA460.96 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001780.22
LogP ≤ 513.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane with MolForge

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Related Compounds

3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 70680151
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
3-(benzylcarbamoylamino)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 24640092
3-(benzylcarbamoylamino)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 30526143
2-[[(3-fluorophenyl)methylcarbamoylamino]methyl]butanoic acid
CID 65218757
4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328
1-[(3-fluorophenyl)methyl]-3-(2-hydroxypropyl)urea
CID 117235352
N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
CID 53279525
6-[(3-fluorophenyl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447390
N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide
CID 47031214
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide
CID 166907403

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane?
The IUPAC name of 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane (CID 159657027) is 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane.
What is the SMILES notation for 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane?
The canonical SMILES for 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane is C.C.C.C.CC(C)CNC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.CC[C@H](C)CNC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.C[C@]1(CCC(=O)NCCC(=O)O)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.C[C@]1(CCC(=O)NCc2cccc(F)c2)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@]1(C)C(=O)CC[C@@H]21.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane?
The InChIKey is MSHOUIQROXQDOB-JLOMTPQCSA-N. The full InChI is InChI=1S/C25H30FNO4.C23H35NO4.C22H33NO4.C21H29NO6.3CO2.4CH4/c1-24(11-10-22(31)27-14-15-4-3-5-16(26)12-15)20(29)8-6-17-18-7-9-21(30)25(18,2)13-19(28)23(17)24;1-5-14(2)13-24-20(28)10-11-22(3)18(26)8-6-15-16-7-9-19(27)23(16,4)12-17(25)21(15)22;1-13(2)12-23-19(27)9-10-21(3)17(25)7-5-14-15-6-8-18(26)22(15,4)11-16(24)20(14)21;1-20(9-7-17(26)22-10-8-18(27)28)15(24)5-3-12-13-4-6-16(25)21(13,2)11-14(23)19(12)20;3*2-1-3;;;;/h3-5,12,17-18,23H,6-11,13-14H2,1-2H3,(H,27,31);14-16,21H,5-13H2,1-4H3,(H,24,28);13-15,20H,5-12H2,1-4H3,(H,23,27);12-13,19H,3-11H2,1-2H3,(H,22,26)(H,27,28);;;;4*1H4/t17-,18-,23+,24-,25-;14-,15-,16-,21+,22-,23-;14-,15-,20+,21-,22-;12-,13-,19+,20-,21-;;;;;;;/m0000......./s1.
What are the key properties of 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane?
3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane has a molecular weight of 1780.22 g/mol, XLogP of 13.08, 22 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(3-fluorophenyl)methyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-[(2S)-2-methylbutyl]propanamide;3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]-N-(2-methylpropyl)propanamide;3-[3-[(3aS,5aS,6R,9aS,9bS)-3a,6-dimethyl-3,5,7-trioxo-1,2,4,5a,8,9,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]propanoylamino]propanoic acid;tris(carbon dioxide);methane is sourced from PubChem (CID 159657027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).