N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide

C69H134N2O27 — CID 159061044

IUPACN-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCOCCOCCOCCOC)C(C)=O)C(C)C
InChIInChI=1S/C69H134N2O27/c1-6-7-14-68(75)71-69(63(2)3)66(73)62-65(64(4)72)13-9-10-16-70-67(74)15-19-79-24-27-83-31-33-85-35-37-87-39-41-89-43-45-91-47-49-93-51-53-95-55-57-97-59-61-98-60-58-96-56-54-94-52-50-92-48-46-90-44-42-88-40-38-86-36-34-84-32-30-82-26-23-78-18-12-8-11-17-77-22-25-81-29-28-80-21-20-76-5/h63,65,69H,6-62H2,1-5H3,(H,70,74)(H,71,75)/t65-,69+/m1/s1
InChIKeyCOPKOFJUZDQWOH-OGOWWKTDSA-N
MW1423.82 g/mol
LogP4.34
Rot. Bonds86

About N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide

N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide (PubChem CID 159061044) has the molecular formula C69H134N2O27 and a molecular weight of 1423.82 g/mol. Its IUPAC name is N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide
PubChem CID159061044
Molecular FormulaC69H134N2O27
Molecular Weight1423.82 g/mol
Exact Mass1422.92
IUPAC NameN-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide
SMILESCCCCC(=O)N[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCOCCOCCOCCOC)C(C)=O)C(C)C
InChIInChI=1S/C69H134N2O27/c1-6-7-14-68(75)71-69(63(2)3)66(73)62-65(64(4)72)13-9-10-16-70-67(74)15-19-79-24-27-83-31-33-85-35-37-87-39-41-89-43-45-91-47-49-93-51-53-95-55-57-97-59-61-98-60-58-96-56-54-94-52-50-92-48-46-90-44-42-88-40-38-86-36-34-84-32-30-82-26-23-78-18-12-8-11-17-77-22-25-81-29-28-80-21-20-76-5/h63,65,69H,6-62H2,1-5H3,(H,70,74)(H,71,75)/t65-,69+/m1/s1
InChIKeyCOPKOFJUZDQWOH-OGOWWKTDSA-N
XLogP4.34
TPSA304.63 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds86
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.82
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide with MolForge

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Related Compounds

N-[(3S,6R)-6-acetyl-9-(carbamoylamino)-2-methyl-4-oxononan-3-yl]-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanamide
CID 144656165
[4-[[(2R,5S)-2-[4-[3-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-6-methyl-5-[(6-methyl-5-oxoheptanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 158402199
sodium;(2S,3S,4S,5R,6R)-N-[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]-3,5-dihydroxy-6-methoxy-4-methyloxane-2-carboxamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]-5,5-dimethylhexanamide;N-[(3S,6R)-6-(2,2-dimethylpropanoyl)-2-methyl-4-oxo-10-[3-[2-[2-[2-[3-oxo-3-(propylamino)propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]decan-3-yl]-5,5-dimethylhexanamide
CID 159463286
2-[3-[2-[2-[2-[3-[[(5R,8S)-8-(5,5-dimethylhexanoylamino)-5-(2,2-dimethylpropanoyl)-9-methyl-7-oxodecyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid;[4-[[(2R,5S)-5-[(6,6-dimethyl-5-oxoheptanoyl)amino]-2-[4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
CID 162073537
(2S)-2-(hexanoylamino)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[4-(propanoylamino)butyl]pentanediamide
CID 174198375
(2S)-2-(tert-butylamino)-N-[(4S)-8-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]-2,2-dimethyl-3-oxooctan-4-yl]-3-methylbutanamide
CID 146394059
sodium;[4-[[(2R,5S)-2-[4-[3-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butyl]-6-methyl-5-(5-methylhexanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl 2-methylpropanoate;N-[(3S,6R)-10-[3-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-6-(2-methylpropanoyl)-4-oxodecan-3-yl]-5-methylhexanamide;2-[[4-[[3-[[(3S,6R)-10-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoylamino]-2-methyl-6-(2-methylpropanoyl)-4-oxodecan-3-yl]amino]-3-oxopropyl]-(3-methylbutyl)amino]-4-oxobutanoyl]amino]ethanesulfonate
CID 162159366
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
hexatriacontan-18-yl (3S)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-6-oxohexanoate
CID 58391284
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxo-5-[3-(2-propoxyethoxy)propanoylamino]heptanamide
CID 163777582
N-[1-amino-1-oxo-6-[3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]hexan-2-yl]dodecanamide
CID 87060981

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide?
The IUPAC name of N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide (CID 159061044) is N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide.
What is the SMILES notation for N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide?
The canonical SMILES for N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide is CCCCC(=O)N[C@H](C(=O)C[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCOCCOCCOCCOC)C(C)=O)C(C)C.
What is the InChIKey of N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide?
The InChIKey is COPKOFJUZDQWOH-OGOWWKTDSA-N. The full InChI is InChI=1S/C69H134N2O27/c1-6-7-14-68(75)71-69(63(2)3)66(73)62-65(64(4)72)13-9-10-16-70-67(74)15-19-79-24-27-83-31-33-85-35-37-87-39-41-89-43-45-91-47-49-93-51-53-95-55-57-97-59-61-98-60-58-96-56-54-94-52-50-92-48-46-90-44-42-88-40-38-86-36-34-84-32-30-82-26-23-78-18-12-8-11-17-77-22-25-81-29-28-80-21-20-76-5/h63,65,69H,6-62H2,1-5H3,(H,70,74)(H,71,75)/t65-,69+/m1/s1.
What are the key properties of N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide?
N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide has a molecular weight of 1423.82 g/mol, XLogP of 4.34, 86 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-acetyl-10-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-methyl-4-oxodecan-3-yl]pentanamide is sourced from PubChem (CID 159061044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).