methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone

C143H280N10O29P2S7 — CID 158536790

IUPACmethane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
SMILESC.C.C.C.CC(C)CCC(=O)N1C[C@H](C)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCSC(C)C)C1.CC(C)CCCCCCCCCC(=O)CCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)CCCSSCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)NCCCC(=O)CCC(=O)N1C[C@H](C)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCNC(C)C)C1.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CSSC(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CSSCCC(=O)C(C)C
InChIInChI=1S/C31H59N4O8P.C27H51N2O7PS.C27H51NO4.C19H35NO4S2.C19H37NO3S2.C16H31NO3S2.4CH4/c1-22(2)32-14-8-10-28(36)12-13-31(38)34-18-25(7)16-26(34)21-42-44(39,40)43-29-17-27(20-41-24(5)6)35(19-29)30(37)11-9-15-33-23(3)4;1-19(2)10-11-27(31)28-15-22(7)13-23(28)18-35-37(32,33)36-25-14-24(17-34-20(3)4)29(16-25)26(30)9-8-12-38-21(5)6;1-21(2)14-12-10-8-7-9-11-13-15-25(29)16-17-27(30)28-19-26(32-23(5)6)18-24(28)20-31-22(3)4;1-13(2)18(21)7-8-25-26-12-19(22)20-10-17(24-15(5)6)9-16(20)11-23-14(3)4;1-14(2)8-7-9-24-25-13-19(21)20-11-18(23-16(5)6)10-17(20)12-22-15(3)4;1-11(2)19-9-14-7-15(20-12(3)4)8-17(14)16(18)10-21-22-13(5)6;;;;/h22-27,29,32-33H,8-21H2,1-7H3,(H,39,40);19-25H,8-18H2,1-7H3,(H,32,33);21-24,26H,7-20H2,1-6H3;13-17H,7-12H2,1-6H3;14-18H,7-13H2,1-6H3;11-15H,7-10H2,1-6H3;4*1H4/t25-,26+,27+,29-;22-,23+,24+,25-;24-,26+;16-,17+;17-,18+;14-,15+;;;;/m110000..../s1
InChIKeyHOAQXZZGDUHNHK-VUJODOLYSA-N
MW2890.27 g/mol
LogP29.65
Rot. Bonds88

About methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone

methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 158536790) has the molecular formula C143H280N10O29P2S7 and a molecular weight of 2890.27 g/mol. Its IUPAC name is methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Namemethane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID158536790
Molecular FormulaC143H280N10O29P2S7
Molecular Weight2890.27 g/mol
Exact Mass2887.83
IUPAC Namemethane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
SMILESC.C.C.C.CC(C)CCC(=O)N1C[C@H](C)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCSC(C)C)C1.CC(C)CCCCCCCCCC(=O)CCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)CCCSSCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)NCCCC(=O)CCC(=O)N1C[C@H](C)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCNC(C)C)C1.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CSSC(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CSSCCC(=O)C(C)C
InChIInChI=1S/C31H59N4O8P.C27H51N2O7PS.C27H51NO4.C19H35NO4S2.C19H37NO3S2.C16H31NO3S2.4CH4/c1-22(2)32-14-8-10-28(36)12-13-31(38)34-18-25(7)16-26(34)21-42-44(39,40)43-29-17-27(20-41-24(5)6)35(19-29)30(37)11-9-15-33-23(3)4;1-19(2)10-11-27(31)28-15-22(7)13-23(28)18-35-37(32,33)36-25-14-24(17-34-20(3)4)29(16-25)26(30)9-8-12-38-21(5)6;1-21(2)14-12-10-8-7-9-11-13-15-25(29)16-17-27(30)28-19-26(32-23(5)6)18-24(28)20-31-22(3)4;1-13(2)18(21)7-8-25-26-12-19(22)20-10-17(24-15(5)6)9-16(20)11-23-14(3)4;1-14(2)8-7-9-24-25-13-19(21)20-11-18(23-16(5)6)10-17(20)12-22-15(3)4;1-11(2)19-9-14-7-15(20-12(3)4)8-17(14)16(18)10-21-22-13(5)6;;;;/h22-27,29,32-33H,8-21H2,1-7H3,(H,39,40);19-25H,8-18H2,1-7H3,(H,32,33);21-24,26H,7-20H2,1-6H3;13-17H,7-12H2,1-6H3;14-18H,7-13H2,1-6H3;11-15H,7-10H2,1-6H3;4*1H4/t25-,26+,27+,29-;22-,23+,24+,25-;24-,26+;16-,17+;17-,18+;14-,15+;;;;/m110000..../s1
InChIKeyHOAQXZZGDUHNHK-VUJODOLYSA-N
XLogP29.65
TPSA441.57 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds88
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002890.27
LogP ≤ 529.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone (CID 158536790) is methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone is C.C.C.C.CC(C)CCC(=O)N1C[C@H](C)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCSC(C)C)C1.CC(C)CCCCCCCCCC(=O)CCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)CCCSSCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.CC(C)NCCCC(=O)CCC(=O)N1C[C@H](C)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCNC(C)C)C1.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CSSC(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CSSCCC(=O)C(C)C.
What is the InChIKey of methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is HOAQXZZGDUHNHK-VUJODOLYSA-N. The full InChI is InChI=1S/C31H59N4O8P.C27H51N2O7PS.C27H51NO4.C19H35NO4S2.C19H37NO3S2.C16H31NO3S2.4CH4/c1-22(2)32-14-8-10-28(36)12-13-31(38)34-18-25(7)16-26(34)21-42-44(39,40)43-29-17-27(20-41-24(5)6)35(19-29)30(37)11-9-15-33-23(3)4;1-19(2)10-11-27(31)28-15-22(7)13-23(28)18-35-37(32,33)36-25-14-24(17-34-20(3)4)29(16-25)26(30)9-8-12-38-21(5)6;1-21(2)14-12-10-8-7-9-11-13-15-25(29)16-17-27(30)28-19-26(32-23(5)6)18-24(28)20-31-22(3)4;1-13(2)18(21)7-8-25-26-12-19(22)20-10-17(24-15(5)6)9-16(20)11-23-14(3)4;1-14(2)8-7-9-24-25-13-19(21)20-11-18(23-16(5)6)10-17(20)12-22-15(3)4;1-11(2)19-9-14-7-15(20-12(3)4)8-17(14)16(18)10-21-22-13(5)6;;;;/h22-27,29,32-33H,8-21H2,1-7H3,(H,39,40);19-25H,8-18H2,1-7H3,(H,32,33);21-24,26H,7-20H2,1-6H3;13-17H,7-12H2,1-6H3;14-18H,7-13H2,1-6H3;11-15H,7-10H2,1-6H3;4*1H4/t25-,26+,27+,29-;22-,23+,24+,25-;24-,26+;16-,17+;17-,18+;14-,15+;;;;/m110000..../s1.
What are the key properties of methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone?
methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 2890.27 g/mol, XLogP of 29.65, 88 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[(2S,4R)-4-methyl-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-methyl-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-(propan-2-ylamino)butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;4-methyl-1-[[2-oxo-2-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethyl]disulfanyl]pentan-3-one;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 158536790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).