(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid

C282H508N8O106 — CID 158051968

IUPAC(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid
SMILESCC(=O)CC(CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)C[C@@H](CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)C[C@@H](CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C)C(=O)O.CC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C)C(=O)O.CCC(=O)CCCOCCC(=O)C(C)(C)C.Cc1c(C)c2c(c(C)c1OCC(=O)C[C@@H](CCC(=O)C(C)C)C(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C62H119NO29.C40H66O6.C38H71NO17.3C24H41NO10.3C19H35NO7.C13H24O3/c1-57(2)61(66)8-10-70-12-14-72-16-18-74-20-22-76-24-26-78-28-30-80-32-34-82-36-38-84-40-42-86-44-46-88-48-50-90-52-54-92-56-55-91-53-51-89-49-47-87-45-43-85-41-39-83-37-35-81-33-31-79-29-27-77-25-23-75-21-19-73-17-15-71-13-11-69-9-4-5-59(65)6-7-60(62(67)68)63-58(3)64;1-26(2)14-11-15-28(5)16-12-17-29(6)18-13-22-40(10)23-21-35-32(9)37(30(7)31(8)38(35)46-40)45-25-34(41)24-33(39(43)44)19-20-36(42)27(3)4;1-33(2)37(42)8-10-46-12-14-48-16-18-50-20-22-52-24-26-54-28-30-56-32-31-55-29-27-53-25-23-51-21-19-49-17-15-47-13-11-45-9-4-5-35(41)6-7-36(38(43)44)39-34(3)40;3*1-18(2)22(28)17-35-14-11-32-9-4-5-21(27)16-34-13-12-33-10-8-25-23(29)7-6-20(24(30)31)15-19(3)26;3*1-16(21)20-7-9-25-11-12-26-14-17(22)6-5-8-24-10-13-27-15-18(23)19(2,3)4;1-5-11(14)7-6-9-16-10-8-12(15)13(2,3)4/h57,60H,4-56H2,1-3H3,(H,63,64)(H,67,68);26-29,33H,11-25H2,1-10H3,(H,43,44);33,36H,4-32H2,1-3H3,(H,39,40)(H,43,44);3*18,20H,4-17H2,1-3H3,(H,25,29)(H,30,31);3*5-15H2,1-4H3,(H,20,21);5-10H2,1-4H3/t60-;28-,29-,33-,40-;36-;2*20-;;;;;/m01011...../s1
InChIKeyFJPATULLBOTKEV-HANKIREXSA-N
MW5707.12 g/mol
LogP23.26
Rot. Bonds281

About (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid

(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid (PubChem CID 158051968) has the molecular formula C282H508N8O106 and a molecular weight of 5707.12 g/mol. Its IUPAC name is (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid
PubChem CID158051968
Molecular FormulaC282H508N8O106
Molecular Weight5707.12 g/mol
Exact Mass5703.46
IUPAC Name(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid
SMILESCC(=O)CC(CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)C[C@@H](CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)C[C@@H](CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C)C(=O)O.CC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C)C(=O)O.CCC(=O)CCCOCCC(=O)C(C)(C)C.Cc1c(C)c2c(c(C)c1OCC(=O)C[C@@H](CCC(=O)C(C)C)C(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIInChI=1S/C62H119NO29.C40H66O6.C38H71NO17.3C24H41NO10.3C19H35NO7.C13H24O3/c1-57(2)61(66)8-10-70-12-14-72-16-18-74-20-22-76-24-26-78-28-30-80-32-34-82-36-38-84-40-42-86-44-46-88-48-50-90-52-54-92-56-55-91-53-51-89-49-47-87-45-43-85-41-39-83-37-35-81-33-31-79-29-27-77-25-23-75-21-19-73-17-15-71-13-11-69-9-4-5-59(65)6-7-60(62(67)68)63-58(3)64;1-26(2)14-11-15-28(5)16-12-17-29(6)18-13-22-40(10)23-21-35-32(9)37(30(7)31(8)38(35)46-40)45-25-34(41)24-33(39(43)44)19-20-36(42)27(3)4;1-33(2)37(42)8-10-46-12-14-48-16-18-50-20-22-52-24-26-54-28-30-56-32-31-55-29-27-53-25-23-51-21-19-49-17-15-47-13-11-45-9-4-5-35(41)6-7-36(38(43)44)39-34(3)40;3*1-18(2)22(28)17-35-14-11-32-9-4-5-21(27)16-34-13-12-33-10-8-25-23(29)7-6-20(24(30)31)15-19(3)26;3*1-16(21)20-7-9-25-11-12-26-14-17(22)6-5-8-24-10-13-27-15-18(23)19(2,3)4;1-5-11(14)7-6-9-16-10-8-12(15)13(2,3)4/h57,60H,4-56H2,1-3H3,(H,63,64)(H,67,68);26-29,33H,11-25H2,1-10H3,(H,43,44);33,36H,4-32H2,1-3H3,(H,39,40)(H,43,44);3*18,20H,4-17H2,1-3H3,(H,25,29)(H,30,31);3*5-15H2,1-4H3,(H,20,21);5-10H2,1-4H3/t60-;28-,29-,33-,40-;36-;2*20-;;;;;/m01011...../s1
InChIKeyFJPATULLBOTKEV-HANKIREXSA-N
XLogP23.26
TPSA1430.70 Ų
H-Bond Donors14
H-Bond Acceptors100
Rotatable Bonds281
Heavy Atoms396
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005707.12
LogP ≤ 523.26
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 10100

Analyze (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid with MolForge

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Related Compounds

(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;1-[2-[2-[2-[2-[2-(5-bromo-4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one;bis(4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one);3-[1-[2-(4,4-dimethyl-3-oxopentoxy)ethyl]triazol-4-yl]-N-[3-[3-(propanoylamino)propoxy]propyl]propanamide;ethane;methane;(2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid;(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid
CID 159392662
(2S)-2-acetamido-5-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-acetamido-8-(4-methyl-3-oxopentoxy)-5-oxooctanoic acid;4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one
CID 158317107
(2S)-2-amino-N'-[2-[2-[2-[2-[[(5Z,8Z,11Z,14Z)-octadeca-5,8,11,14-tetraenoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-N-[6-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]hexyl]pentanediamide
CID 176550054
(2R)-7-(tert-butylamino)-2-[3-[[(1S)-1-carboxy-7-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-4-oxoheptyl]amino]-3-oxopropyl]-4-oxoheptanoic acid;2-[2-[7-(tert-butylamino)-4-oxoheptoxy]ethoxy]-N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]acetamide
CID 164964089
2-[[4-carboxy-4-[4-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]butanoylamino]butanoyl]amino]-5-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid;(2S)-2-[[(4S)-4-carboxy-4-[12-[4-[2-oxo-17-(2H-tetrazol-5-yl)heptadecyl]sulfonylbutanoylamino]dodecanoylamino]butanoyl]amino]-5-oxo-8-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]octanoic acid;bis(20-[[4-[[(1R)-1-carboxypropyl]carbamoyl]cyclohexyl]methylamino]-20-oxoicosanoic acid);N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide;2-[2-(4-oxohexoxy)ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 160725905
(2S)-2-acetamido-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 157395276
(2R)-2-[3-[2-[2-[2-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-3-oxopropyl]-4,21-dioxodocosanoic acid
CID 152851169
4-[(12R)-15-[2-[2-[5-[2-[2-[[(5R,9R)-9-acetyl-13-[[2-[2-[2-[[2-[2-[(7S)-7-carboxy-7-[10-(4-carboxyphenoxy)decanoylamino]-4-oxoheptoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-(3,3-dimethyl-2-oxobutyl)-6-oxotridecyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-12-carboxy-10,15-dioxopentadecoxy]benzoic acid
CID 157346635
2-[carboxymethyl-[2-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]ethyl]amino]acetic acid
CID 140718102
2-amino-6-[[2-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetyl]oxyamino]hexanoic acid
CID 146200396
(2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxotricosanedioic acid
CID 158500711
(2R)-2-[6-[2-[5-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]-3-oxohexyl]-4-oxohenicosanedioic acid
CID 148552673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid?
The IUPAC name of (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid (CID 158051968) is (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid.
What is the SMILES notation for (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid?
The canonical SMILES for (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid is CC(=O)CC(CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)C[C@@H](CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)C[C@@H](CCC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)C)C(=O)O.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)C(C)(C)C.CC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C)C(=O)O.CC(=O)N[C@@H](CCC(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C)C(=O)O.CCC(=O)CCCOCCC(=O)C(C)(C)C.Cc1c(C)c2c(c(C)c1OCC(=O)C[C@@H](CCC(=O)C(C)C)C(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2.
What is the InChIKey of (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid?
The InChIKey is FJPATULLBOTKEV-HANKIREXSA-N. The full InChI is InChI=1S/C62H119NO29.C40H66O6.C38H71NO17.3C24H41NO10.3C19H35NO7.C13H24O3/c1-57(2)61(66)8-10-70-12-14-72-16-18-74-20-22-76-24-26-78-28-30-80-32-34-82-36-38-84-40-42-86-44-46-88-48-50-90-52-54-92-56-55-91-53-51-89-49-47-87-45-43-85-41-39-83-37-35-81-33-31-79-29-27-77-25-23-75-21-19-73-17-15-71-13-11-69-9-4-5-59(65)6-7-60(62(67)68)63-58(3)64;1-26(2)14-11-15-28(5)16-12-17-29(6)18-13-22-40(10)23-21-35-32(9)37(30(7)31(8)38(35)46-40)45-25-34(41)24-33(39(43)44)19-20-36(42)27(3)4;1-33(2)37(42)8-10-46-12-14-48-16-18-50-20-22-52-24-26-54-28-30-56-32-31-55-29-27-53-25-23-51-21-19-49-17-15-47-13-11-45-9-4-5-35(41)6-7-36(38(43)44)39-34(3)40;3*1-18(2)22(28)17-35-14-11-32-9-4-5-21(27)16-34-13-12-33-10-8-25-23(29)7-6-20(24(30)31)15-19(3)26;3*1-16(21)20-7-9-25-11-12-26-14-17(22)6-5-8-24-10-13-27-15-18(23)19(2,3)4;1-5-11(14)7-6-9-16-10-8-12(15)13(2,3)4/h57,60H,4-56H2,1-3H3,(H,63,64)(H,67,68);26-29,33H,11-25H2,1-10H3,(H,43,44);33,36H,4-32H2,1-3H3,(H,39,40)(H,43,44);3*18,20H,4-17H2,1-3H3,(H,25,29)(H,30,31);3*5-15H2,1-4H3,(H,20,21);5-10H2,1-4H3/t60-;28-,29-,33-,40-;36-;2*20-;;;;;/m01011...../s1.
What are the key properties of (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid?
(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid has a molecular weight of 5707.12 g/mol, XLogP of 23.26, 281 rotatable bonds, 14 hydrogen bond donors, and 100 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;(2S)-2-acetamido-8-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid;tris(N-[2-[2-[5-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethyl]acetamide);4,4-dimethyl-1-(4-oxohexoxy)pentan-3-one;tris((2R)-5-[2-[2-[5-[2-(3-methyl-2-oxobutoxy)ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-5-oxo-2-(2-oxopropyl)pentanoic acid);(2R)-6-methyl-5-oxo-2-[2-oxo-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]propyl]heptanoic acid is sourced from PubChem (CID 158051968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).