methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate

C94H172N16O19 — CID 78167556

IUPACmethyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate
SMILESCOC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C94H172N16O19/c1-53(2)61(95-78(120)88(22,23)104-71(113)47-39-63(55(5)6)97-80(122)90(26,27)106-73(115)49-41-65(57(9)10)99-82(124)92(30,31)108-75(117)51-43-67(59(13)14)101-84(126)94(34,35)110-85(127)129-86(17,18)19)37-45-69(111)103-87(20,21)77(119)96-62(54(3)4)38-46-70(112)105-89(24,25)79(121)98-64(56(7)8)40-48-72(114)107-91(28,29)81(123)100-66(58(11)12)42-50-74(116)109-93(32,33)83(125)102-68(60(15)16)44-52-76(118)128-36/h53-68H,37-52H2,1-36H3,(H,95,120)(H,96,119)(H,97,122)(H,98,121)(H,99,124)(H,100,123)(H,101,126)(H,102,125)(H,103,111)(H,104,113)(H,105,112)(H,106,115)(H,107,114)(H,108,117)(H,109,116)(H,110,127)
InChIKeySHKWXSGPVOXGOI-UHFFFAOYSA-N
MW1830.50 g/mol
LogP8.09
Rot. Bonds56

About methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate

methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate (PubChem CID 78167556) has the molecular formula C94H172N16O19 and a molecular weight of 1830.50 g/mol. Its IUPAC name is methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate
PubChem CID78167556
Molecular FormulaC94H172N16O19
Molecular Weight1830.50 g/mol
Exact Mass1829.30
IUPAC Namemethyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate
SMILESCOC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C94H172N16O19/c1-53(2)61(95-78(120)88(22,23)104-71(113)47-39-63(55(5)6)97-80(122)90(26,27)106-73(115)49-41-65(57(9)10)99-82(124)92(30,31)108-75(117)51-43-67(59(13)14)101-84(126)94(34,35)110-85(127)129-86(17,18)19)37-45-69(111)103-87(20,21)77(119)96-62(54(3)4)38-46-70(112)105-89(24,25)79(121)98-64(56(7)8)40-48-72(114)107-91(28,29)81(123)100-66(58(11)12)42-50-74(116)109-93(32,33)83(125)102-68(60(15)16)44-52-76(118)128-36/h53-68H,37-52H2,1-36H3,(H,95,120)(H,96,119)(H,97,122)(H,98,121)(H,99,124)(H,100,123)(H,101,126)(H,102,125)(H,103,111)(H,104,113)(H,105,112)(H,106,115)(H,107,114)(H,108,117)(H,109,116)(H,110,127)
InChIKeySHKWXSGPVOXGOI-UHFFFAOYSA-N
XLogP8.09
TPSA501.13 Ų
H-Bond Donors16
H-Bond Acceptors19
Rotatable Bonds56
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001830.50
LogP ≤ 58.09
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1019

Analyze methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (4R)-5-methyl-4-[[2-methyl-2-[[(4R)-5-methyl-4-[[2-methyl-2-[[(4R)-5-methyl-4-[[2-methyl-2-[[(4R)-5-methyl-4-[[2-methyl-2-[[(4R)-5-methyl-4-[[2-methyl-2-[[(4R)-5-methyl-4-[[2-methyl-2-[[(4R)-5-methyl-4-[[2-methyl-2-[[(4R)-5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate
CID 71746158
methyl 2-[[5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
CID 132521354
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
methyl (3R)-4-methyl-3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]pentanoate
CID 102173101
methyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]butanoyl]amino]butanoate
CID 132540772
methyl (5R)-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octanoate
CID 164848946
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
1-O-tert-butyl 7-O-methyl (3R)-3-hydroxyheptanedioate
CID 10879405
(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoic acid
CID 87902559
methyl (4R)-5-amino-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-5-oxopentanoate
CID 13190103
1-O-tert-butyl 5-O-methyl (2S)-2-[[16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoyl]amino]pentanedioate
CID 168721515
methyl (4R)-6,6,6-trifluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 169119163

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate?
The IUPAC name of methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate (CID 78167556) is methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate.
What is the SMILES notation for methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate?
The canonical SMILES for methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate is COC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)CCC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C.
What is the InChIKey of methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate?
The InChIKey is SHKWXSGPVOXGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H172N16O19/c1-53(2)61(95-78(120)88(22,23)104-71(113)47-39-63(55(5)6)97-80(122)90(26,27)106-73(115)49-41-65(57(9)10)99-82(124)92(30,31)108-75(117)51-43-67(59(13)14)101-84(126)94(34,35)110-85(127)129-86(17,18)19)37-45-69(111)103-87(20,21)77(119)96-62(54(3)4)38-46-70(112)105-89(24,25)79(121)98-64(56(7)8)40-48-72(114)107-91(28,29)81(123)100-66(58(11)12)42-50-74(116)109-93(32,33)83(125)102-68(60(15)16)44-52-76(118)128-36/h53-68H,37-52H2,1-36H3,(H,95,120)(H,96,119)(H,97,122)(H,98,121)(H,99,124)(H,100,123)(H,101,126)(H,102,125)(H,103,111)(H,104,113)(H,105,112)(H,106,115)(H,107,114)(H,108,117)(H,109,116)(H,110,127).
What are the key properties of methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate?
methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate has a molecular weight of 1830.50 g/mol, XLogP of 8.09, 56 rotatable bonds, 16 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[[5-methyl-4-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoate is sourced from PubChem (CID 78167556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).