[(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone

C174H330N12O37P2S7 — CID 158337932

IUPAC[(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)CCC(=O)N1C[C@H](O)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCSC(C)C)C1.CC(C)CCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.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)NCCCCCC(=O)N1C[C@H](OP(=O)(O)OC[C@@H]2C[C@@H](C)CN2C(=O)CCC(=O)CCCNC(C)C)C[C@H]1COC(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CC(=O)C(C)C.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/C33H63N4O8P.C27H51NO4.C26H49N2O8PS.C19H35NO4S2.C19H37NO3S2.C17H31NO4.C17H33NO3.C16H31NO3S2/c1-24(2)34-16-10-8-9-13-32(39)37-21-31(19-29(37)22-43-26(5)6)45-46(41,42)44-23-28-18-27(7)20-36(28)33(40)15-14-30(38)12-11-17-35-25(3)4;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;1-18(2)9-10-26(31)27-14-23(29)12-21(27)17-35-37(32,33)36-24-13-22(16-34-19(3)4)28(15-24)25(30)8-7-11-38-20(5)6;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)16(19)8-17(20)18-9-15(22-13(5)6)7-14(18)10-21-12(3)4;1-12(2)7-8-17(19)18-10-16(21-14(5)6)9-15(18)11-20-13(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/h24-29,31,34-35H,8-23H2,1-7H3,(H,41,42);21-24,26H,7-20H2,1-6H3;18-24,29H,7-17H2,1-6H3,(H,32,33);13-17H,7-12H2,1-6H3;14-18H,7-13H2,1-6H3;11-15H,7-10H2,1-6H3;12-16H,7-11H2,1-6H3;11-15H,7-10H2,1-6H3/t27-,28+,29+,31-;24-,26+;21-,22-,23+,24+;16-,17+;17-,18+;14-,15+;15-,16+;14-,15+/m10000000/s1
InChIKeyGQURYJMGSAVAIJ-OOSORIRTSA-N
MW3469.02 g/mol
LogP32.28
Rot. Bonds106

About [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone

[(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 158337932) has the molecular formula C174H330N12O37P2S7 and a molecular weight of 3469.02 g/mol. Its IUPAC name is [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name[(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID158337932
Molecular FormulaC174H330N12O37P2S7
Molecular Weight3469.02 g/mol
Exact Mass3466.18
IUPAC Name[(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
SMILESCC(C)CCC(=O)N1C[C@H](O)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCSC(C)C)C1.CC(C)CCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.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)NCCCCCC(=O)N1C[C@H](OP(=O)(O)OC[C@@H]2C[C@@H](C)CN2C(=O)CCC(=O)CCCNC(C)C)C[C@H]1COC(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CC(=O)C(C)C.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/C33H63N4O8P.C27H51NO4.C26H49N2O8PS.C19H35NO4S2.C19H37NO3S2.C17H31NO4.C17H33NO3.C16H31NO3S2/c1-24(2)34-16-10-8-9-13-32(39)37-21-31(19-29(37)22-43-26(5)6)45-46(41,42)44-23-28-18-27(7)20-36(28)33(40)15-14-30(38)12-11-17-35-25(3)4;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;1-18(2)9-10-26(31)27-14-23(29)12-21(27)17-35-37(32,33)36-24-13-22(16-34-19(3)4)28(15-24)25(30)8-7-11-38-20(5)6;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)16(19)8-17(20)18-9-15(22-13(5)6)7-14(18)10-21-12(3)4;1-12(2)7-8-17(19)18-10-16(21-14(5)6)9-15(18)11-20-13(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/h24-29,31,34-35H,8-23H2,1-7H3,(H,41,42);21-24,26H,7-20H2,1-6H3;18-24,29H,7-17H2,1-6H3,(H,32,33);13-17H,7-12H2,1-6H3;14-18H,7-13H2,1-6H3;11-15H,7-10H2,1-6H3;12-16H,7-11H2,1-6H3;11-15H,7-10H2,1-6H3/t27-,28+,29+,31-;24-,26+;21-,22-,23+,24+;16-,17+;17-,18+;14-,15+;15-,16+;14-,15+/m10000000/s1
InChIKeyGQURYJMGSAVAIJ-OOSORIRTSA-N
XLogP32.28
TPSA556.41 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds106
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003469.02
LogP ≤ 532.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;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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Launch Full Analysis

Related Compounds

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
[(2S,4R)-4-hydroxy-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(3R,5S)-1-[4-[(4-methyl-3-oxopentyl)disulfanyl]butanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate;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;2-(4-methylpentyldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 161320566
[(4R)-4-hydroxy-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate;[(2S,4R)-4-hydroxy-1-[4-oxo-7-(propan-2-ylamino)heptanoyl]pyrrolidin-2-yl]methyl [(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;14-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentadecane-1,4-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 158501808
1-[[2,9-dioxo-9-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]nonyl]-propan-2-ylamino]decane-2,9-dione;[(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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
CID 157416981
[(2S)-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
CID 160587216
[(4R)-4-hydroxy-1-(4-methylpentanoyl)pyrrolidin-2-yl]methyl [(5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate
CID 158501809
[(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
CID 157104092
[(2S,4R)-4-methyl-1-[2-(propan-2-ylamino)acetyl]pyrrolidin-2-yl]methyl [(3R,5S)-5-(propan-2-yloxymethyl)-1-(4-propan-2-ylsulfanylbutanoyl)pyrrolidin-3-yl] hydrogen phosphate
CID 163590278
[(3R,5S)-5-(methoxymethyl)-1-[6-(propan-2-ylamino)hexanoyl]pyrrolidin-3-yl] [(2S,4R)-1-[4-oxo-9-(propan-2-ylamino)nonanoyl]-4-propan-2-yloxypyrrolidin-2-yl]methyl hydrogen phosphate
CID 159839659
[(2S,4S)-1-[4-(propan-2-ylamino)butanoyl]-4-propan-2-yloxypyrrolidin-2-yl]methyl [(5S)-1-[3-(propan-2-ylamino)propanoyl]-5-(propan-2-yloxymethyl)pyrrolidin-3-yl] hydrogen phosphate
CID 164730167
2-[2-(propan-2-ylamino)ethyldisulfanyl]-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone
CID 147650887
[(2S)-4-[[(2S,4R)-1-[4-(2-aminoethyldisulfanyl)butanoyl]-4-hydroxypyrrolidin-2-yl]methoxy-hydroxyphosphoryl]oxy-1-(6-aminohexanoyl)pyrrolidin-2-yl]methyl methyl hydrogen phosphate
CID 90393229

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone (CID 158337932) is [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;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 [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone is CC(C)CCC(=O)N1C[C@H](O)C[C@H]1COP(=O)(O)O[C@@H]1C[C@@H](COC(C)C)N(C(=O)CCCSC(C)C)C1.CC(C)CCC(=O)N1C[C@H](OC(C)C)C[C@H]1COC(C)C.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)NCCCCCC(=O)N1C[C@H](OP(=O)(O)OC[C@@H]2C[C@@H](C)CN2C(=O)CCC(=O)CCCNC(C)C)C[C@H]1COC(C)C.CC(C)OC[C@@H]1C[C@@H](OC(C)C)CN1C(=O)CC(=O)C(C)C.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 [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is GQURYJMGSAVAIJ-OOSORIRTSA-N. The full InChI is InChI=1S/C33H63N4O8P.C27H51NO4.C26H49N2O8PS.C19H35NO4S2.C19H37NO3S2.C17H31NO4.C17H33NO3.C16H31NO3S2/c1-24(2)34-16-10-8-9-13-32(39)37-21-31(19-29(37)22-43-26(5)6)45-46(41,42)44-23-28-18-27(7)20-36(28)33(40)15-14-30(38)12-11-17-35-25(3)4;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;1-18(2)9-10-26(31)27-14-23(29)12-21(27)17-35-37(32,33)36-24-13-22(16-34-19(3)4)28(15-24)25(30)8-7-11-38-20(5)6;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)16(19)8-17(20)18-9-15(22-13(5)6)7-14(18)10-21-12(3)4;1-12(2)7-8-17(19)18-10-16(21-14(5)6)9-15(18)11-20-13(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/h24-29,31,34-35H,8-23H2,1-7H3,(H,41,42);21-24,26H,7-20H2,1-6H3;18-24,29H,7-17H2,1-6H3,(H,32,33);13-17H,7-12H2,1-6H3;14-18H,7-13H2,1-6H3;11-15H,7-10H2,1-6H3;12-16H,7-11H2,1-6H3;11-15H,7-10H2,1-6H3/t27-,28+,29+,31-;24-,26+;21-,22-,23+,24+;16-,17+;17-,18+;14-,15+;15-,16+;14-,15+/m10000000/s1.
What are the key properties of [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone?
[(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 3469.02 g/mol, XLogP of 32.28, 106 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-hydroxy-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-[6-(propan-2-ylamino)hexanoyl]-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;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentane-1,3-dione;4-methyl-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]pentan-1-one;2-(propan-2-yldisulfanyl)-1-[(2S,4R)-4-propan-2-yloxy-2-(propan-2-yloxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 158337932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).